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

Systemtic Name: 4-methyl-5-(phenylmethyl)-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-benzyl-4-methyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-methyl-5-(phenylmethyl)-2-[(4-phenyl-1-piperidin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-benzyl-4-methyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-benzyl-4-methyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C22H27N4S+ MolecularWeight: 379.54158

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N4S/c1-24-21(16-18-8-4-2-5-9-18)23-26(22(24)27)17-25-14-12-20(13-15-25)19-10-6-3-7-11-19/h2-11,20H,12-17H2,1H3/p+1