1-(3-methylphenyl)-3-[(4-methylpiperidin-1-ium-1-yl)methyl]benzimidazole-2-thione

Systemtic Name: 1-(3-methylphenyl)-3-[(4-methylpiperidin-1-ium-1-yl)methyl]benzimidazole-2-thione Openeye Name: 1-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-(m-tolyl)benzimidazole-2-thione CAS Name: 1-(3-methylphenyl)-3-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-benzimidazolethione IUPAC Name: 1-(3-methylphenyl)-3-[(4-methylpiperidin-1-ium-1-yl)methyl]benzimidazole-2-thione Traditional Name: 1-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-(m-tolyl)benzimidazole-2-thione Formula: C21H26N3S+ MolecularWeight: 352.51624

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C3=CC=CC=C3N(C2=S)C4=CC=CC(=C4)C

Isomeric SMILES

CC1CC[NH+](CC1)CN2C3=CC=CC=C3N(C2=S)C4=CC=CC(=C4)C

InChI

InChI=1S/C21H25N3S/c1-16-10-12-22(13-11-16)15-23-19-8-3-4-9-20(19)24(21(23)25)18-7-5-6-17(2)14-18/h3-9,14,16H,10-13,15H2,1-2H3/p+1