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Reference substances

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IUPAC name:
6-chloro-2-{4-[ethyl(2-hydroxyethyl)amino]phenyl}-1-methylbenzo[cd]indolium acetate

Inventory

EC number:
296-673-5
EC name:
6-chloro-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methylbenz[cd]indolium acetate
CAS number:
92952-73-3
CAS number:
92952-73-3
Synonyms
Names:
Benz[cd]indolium, 6-chloro-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methyl-, acetate (salt)

Molecular and structural information

Molecular formula:
C22H22ClN2O.C2H3O2
Molecular weight:
424.92
SMILES notation:
CCN(CCO)c1ccc(cc1)C2=[N+](C)c3ccc(Cl)c4cccc2c34.CC(=O)[O-]
InChl:
InChI=1/C22H22ClN2O.C2H4O2/c1-3-25(13-14-26)16-9-7-15(8-10-16)22-18-6-4-5-17-19(23)11-12-20(21(17)18)24(22)2;1-2(3)4/h4-12,26H,3,13-14H2,1-2H3;1H3,(H,3,4)/q+1;/p-1
Structural formula:
Chemical structure

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