5-(4-chlorophenyl)-4-(phenylmethyl)-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-chlorophenyl)-4-(phenylmethyl)-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-5-(4-chlorophenyl)-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-chlorophenyl)-4-(phenylmethyl)-2-[(4-phenyl-1-piperidin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-5-(4-chlorophenyl)-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-5-(4-chlorophenyl)-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C27H28ClN4S+ MolecularWeight: 476.05602

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC=CC=C2)CN3C(=S)N(C(=N3)C4=CC=C(C=C4)Cl)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C2=CC=CC=C2)CN3C(=S)N(C(=N3)C4=CC=C(C=C4)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C27H27ClN4S/c28-25-13-11-24(12-14-25)26-29-32(27(33)31(26)19-21-7-3-1-4-8-21)20-30-17-15-23(16-18-30)22-9-5-2-6-10-22/h1-14,23H,15-20H2/p+1