4-(2-methoxyphenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(2-methoxyphenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1-benzylpiperidin-1-ium-4-yl)-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(2-methoxyphenyl)-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1-benzylpiperidin-1-ium-4-yl)-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1-benzylpiperidin-1-ium-4-yl)-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NNC2=S)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NNC2=S)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N4OS/c1-26-19-10-6-5-9-18(19)25-20(22-23-21(25)27)17-11-13-24(14-12-17)15-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3,(H,23,27)/p+1