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Reference substance information

IUPAC name:
2-[(E)-2-{4-[(2-chloroethyl)(ethyl)amino]-2-methylphenyl}ethenyl]-1,3,3-trimethyl-3H-indol-1-ium chloride
Synonyms
Names:
Identifier:
IUPAC name
2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride
2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3- trimethyl-3H-indolium chloride

CAS information

CAS number:
6441-82-3

Molecular and structural information

Molecular formula:
C24H30ClN2.Cl
Molecular weight:
417.421
SMILES notation:
C1(=[N+](c2ccccc2C1(C)C)C)\C=C/c1c(cc(N(CCCl)CC)cc1)C.[ClH-]
InChl:
1S/C24H30ClN2.ClH/c1-6-27(16-15-25)20-13-11-19(18(2)17-20)12-14-23-24(3,4)21-9-7-8-10-22(21)26(23)5;/h7-14,17H,6,15-16H2,1-5H3;1H/q+1;/p-1
Structural formula:
Chemical structure