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

Systemtic Name: 1-phenethyl-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]benzimidazole-2-thione Openeye Name: 1-phenethyl-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]benzimidazole-2-thione CAS Name: 1-phenethyl-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-2-benzimidazolethione IUPAC Name: 1-phenethyl-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]benzimidazole-2-thione Traditional Name: 1-phenethyl-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]benzimidazole-2-thione Formula: C27H28N3S+ MolecularWeight: 426.59632

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC=C1C2=CC=CC=C2)CN3C4=CC=CC=C4N(C3=S)CCC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CC=C1C2=CC=CC=C2)CN3C4=CC=CC=C4N(C3=S)CCC5=CC=CC=C5

InChI

InChI=1S/C27H27N3S/c31-27-29(20-15-22-9-3-1-4-10-22)25-13-7-8-14-26(25)30(27)21-28-18-16-24(17-19-28)23-11-5-2-6-12-23/h1-14,16H,15,17-21H2/p+1