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

Systemtic Name: 5-(2-chlorophenyl)-4-methyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(2-chlorophenyl)-4-methyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(2-chlorophenyl)-4-methyl-2-[(4-phenyl-1-piperidin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(2-chlorophenyl)-4-methyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(2-chlorophenyl)-4-methyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C21H24ClN4S+ MolecularWeight: 399.96006

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)C3=CC=CC=C3)C4=CC=CC=C4Cl

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)C3=CC=CC=C3)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H23ClN4S/c1-24-20(18-9-5-6-10-19(18)22)23-26(21(24)27)15-25-13-11-17(12-14-25)16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3/p+1