1-(3-methylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzimidazole-2-thione

Systemtic Name: 1-(3-methylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzimidazole-2-thione Openeye Name: 1-(m-tolyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzimidazole-2-thione CAS Name: 1-(3-methylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-2-benzimidazolethione IUPAC Name: 1-(3-methylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzimidazole-2-thione Traditional Name: 1-(m-tolyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzimidazole-2-thione Formula: C24H24N3S+ MolecularWeight: 386.53246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=CC=CC=C3N(C2=S)C[NH+]4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=CC=CC=C3N(C2=S)C[NH+]4CCC5=CC=CC=C5C4

InChI

InChI=1S/C24H23N3S/c1-18-7-6-10-21(15-18)27-23-12-5-4-11-22(23)26(24(27)28)17-25-14-13-19-8-2-3-9-20(19)16-25/h2-12,15H,13-14,16-17H2,1H3/p+1