methyl 1-[[3-(3-methylphenyl)-2-sulfanylidene-benzimidazol-1-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[[3-(3-methylphenyl)-2-sulfanylidene-benzimidazol-1-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[3-(m-tolyl)-2-thioxo-benzimidazol-1-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-(3-methylphenyl)-2-sulfanylidene-1-benzimidazolyl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[3-(3-methylphenyl)-2-sulfanylidenebenzimidazol-1-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[3-(m-tolyl)-2-thioxo-benzimidazol-1-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=CC=CC=C3N(C2=S)C[NH+]4CCC(CC4)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=CC=CC=C3N(C2=S)C[NH+]4CCC(CC4)C(=O)OC

InChI

InChI=1S/C22H25N3O2S/c1-16-6-5-7-18(14-16)25-20-9-4-3-8-19(20)24(22(25)28)15-23-12-10-17(11-13-23)21(26)27-2/h3-9,14,17H,10-13,15H2,1-2H3/p+1