1-(3-methylphenyl)-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]benzimidazole-2-thione

Systemtic Name: 1-(3-methylphenyl)-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]benzimidazole-2-thione Openeye Name: 1-(m-tolyl)-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]benzimidazole-2-thione CAS Name: 1-(3-methylphenyl)-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-2-benzimidazolethione IUPAC Name: 1-(3-methylphenyl)-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]benzimidazole-2-thione Traditional Name: 1-(m-tolyl)-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]benzimidazole-2-thione Formula: C26H26N3S+ MolecularWeight: 412.56974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=CC=CC=C3N(C2=S)C[NH+]4CCC(=CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=CC=CC=C3N(C2=S)C[NH+]4CCC(=CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H25N3S/c1-20-8-7-11-23(18-20)29-25-13-6-5-12-24(25)28(26(29)30)19-27-16-14-22(15-17-27)21-9-3-2-4-10-21/h2-14,18H,15-17,19H2,1H3/p+1