N-(2,6-dimethylphenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C18H20N3OS+ MolecularWeight: 326.4359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)C

InChI

InChI=1S/C18H19N3OS/c1-12-7-6-8-13(2)17(12)20-16(22)11-23-18-19-14-9-4-5-10-15(14)21(18)3/h4-10H,11H2,1-3H3,(H,20,22)/p+1