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Reference substances

Reference substances

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General information

Inventory

EC number:
249-694-9
EC name:
2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-benzimidazolium chloride
CAS number:
29556-33-0

No inventory information available

Reference substance information

IUPAC name:
2-[7-(diethylamino)-2-oxo-2H-chromen-3-yl]-1,3-dimethyl-2,3-dihydro-1H-3,1-benzimidazol-1-ium chloride
Synonyms
Names:
1H-Benzimidazolium, 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-, chloride
Identifier:
CAS number
29556-33-0
Identifier:
IUPAC name
2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-benzimidazolium chloride
Identifier:
IUPAC name
2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-benzimidazolium chloride
Identifier:
other: InChl
1S/C22H24N3O2.ClH/c1-5-25(6-2)16-12-11-15-13-17(22(26)27-20(15)14-16)21-23(3)18-9-7-8-10-19(18)24(21)4;/h7-14H,5-6H2,1-4H3;1H/q+1;/p-1
Identifier:
other: SMILES notation
c1([n+](c2c(n1C)cccc2)C)c1c(oc2c(c1)ccc(c2)N(CC)CC)=O.[ClH-]

CAS information

CAS number:
29556-33-0

Molecular and structural information

Molecular formula:
C22H24N3O2.Cl
Molecular weight:
399.914
SMILES notation:
[Cl-].CCN(CC)c1ccc2C=C(C3N(C)c4ccccc4[NH+]3C)C(=O)Oc2c1
InChl:
InChI=1/C22H25N3O2.ClH/c1-5-25(6-2)16-12-11-15-13-17(22(26)27-20(15)14-16)21-23(3)18-9-7-8-10-19(18)24(21)4;/h7-14,21H,5-6H2,1-4H3;1H
Structural formula:
Chemical structure