N-(4-bromophenyl)-N-methyl-2-(4-methylphenyl)sulfanyl-quinolin-1-ium-1-amine

Systemtic Name: N-(4-bromophenyl)-N-methyl-2-(4-methylphenyl)sulfanyl-quinolin-1-ium-1-amine Openeye Name: N-(4-bromophenyl)-N-methyl-2-(p-tolylsulfanyl)quinolin-1-ium-1-amine CAS Name: N-(4-bromophenyl)-N-methyl-2-[(4-methylphenyl)thio]-1-quinolin-1-iumamine IUPAC Name: N-(4-bromophenyl)-N-methyl-2-(4-methylphenyl)sulfanylquinolin-1-ium-1-amine Traditional Name: (4-bromophenyl)-methyl-[2-(p-tolylthio)quinolin-1-ium-1-yl]amine Formula: C23H20BrN2S+ MolecularWeight: 436.3873

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=[N+](C3=CC=CC=C3C=C2)N(C)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)SC2=[N+](C3=CC=CC=C3C=C2)N(C)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H20BrN2S/c1-17-7-14-21(15-8-17)27-23-16-9-18-5-3-4-6-22(18)26(23)25(2)20-12-10-19(24)11-13-20/h3-16H,1-2H3/q+1