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

Systemtic Name: (1-methylpyridin-1-ium-2-yl) N'-(2,3-dimethylphenyl)-N-methyl-N-(phenylmethyl)carbamimidothioate iodide Openeye Name: 1-benzyl-3-(2,3-dimethylphenyl)-1-methyl-2-(1-methylpyridin-1-ium-2-yl)isothiourea iodide CAS Name: N'-(2,3-dimethylphenyl)-N-methyl-N-(phenylmethyl)carbamimidothioic acid (1-methyl-2-pyridin-1-iumyl) ester iodide IUPAC Name: (1-methylpyridin-1-ium-2-yl) N-benzyl-N'-(2,3-dimethylphenyl)-N-methylcarbamimidothioate iodide Traditional Name: 1-benzyl-3-(2,3-dimethylphenyl)-1-methyl-2-(1-methylpyridin-1-ium-2-yl)isothiourea iodide Formula: C23H26IN3S MolecularWeight: 503.44211

Click to see the large picture

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.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C23H26N3S.HI/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;1H/q+1;/p-1