(1-methylpyridin-1-ium-2-yl) N'-(2,3-dimethylphenyl)-N-methyl-N-(phenylmethyl)carbamimidothioate

Systemtic Name: (1-methylpyridin-1-ium-2-yl) N'-(2,3-dimethylphenyl)-N-methyl-N-(phenylmethyl)carbamimidothioate Openeye Name: 1-benzyl-3-(2,3-dimethylphenyl)-1-methyl-2-(1-methylpyridin-1-ium-2-yl)isothiourea CAS Name: N'-(2,3-dimethylphenyl)-N-methyl-N-(phenylmethyl)carbamimidothioic acid (1-methyl-2-pyridin-1-iumyl) ester IUPAC Name: (1-methylpyridin-1-ium-2-yl) N-benzyl-N'-(2,3-dimethylphenyl)-N-methylcarbamimidothioate Traditional Name: 1-benzyl-3-(2,3-dimethylphenyl)-1-methyl-2-(1-methylpyridin-1-ium-2-yl)isothiourea Formula: C23H26N3S+ MolecularWeight: 376.53764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=CC=C1)N=C(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