N-(2,6-dimethylphenyl)-2-(2-methylsulfanyl-3H-benzimidazol-1-ium-1-yl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[N+]2=C(NC3=CC=CC=C32)SC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[N+]2=C(NC3=CC=CC=C32)SC

InChI

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