[[(2,3-dimethylphenyl)amino]-(1-methylpyridin-1-ium-2-yl)sulfanyl-methylidene]-methyl-(phenylmethyl)azanium

Systemtic Name: [[(2,3-dimethylphenyl)amino]-(1-methylpyridin-1-ium-2-yl)sulfanyl-methylidene]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2,3-dimethylanilino)-(1-methylpyridin-1-ium-2-yl)sulfanyl-methylene]-methyl-ammonium CAS Name: [(2,3-dimethylanilino)-[(1-methyl-2-pyridin-1-iumyl)thio]methylidene]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2,3-dimethylanilino)-(1-methylpyridin-1-ium-2-yl)sulfanylmethylidene]-methylazanium Traditional Name: benzyl-[(2,3-dimethylanilino)-[(1-methylpyridin-1-ium-2-yl)thio]methylene]-methyl-ammonium Formula: C23H27N3S+2 MolecularWeight: 377.54558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=[N+](C)CC2=CC=CC=C2)SC3=CC=CC=[N+]3C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=[N+](C)CC2=CC=CC=C2)SC3=CC=CC=[N+]3C)C

InChI

InChI=1S/C23H26N3S/c1-18-11-10-14-21(19(18)2)24-23(27-22-15-8-9-16-25(22)3)26(4)17-20-12-6-5-7-13-20/h5-16H,17H2,1-4H3/q+1/p+1