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

Systemtic Name: 5-(2-methoxyphenyl)-4-methyl-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-(2-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione CAS Name: 5-(2-methoxyphenyl)-4-methyl-2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-(2-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-(2-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)CC3=CC=CC=C3)C4=CC=CC=C4OC

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)CC3=CC=CC=C3)C4=CC=CC=C4OC

InChI

InChI=1S/C23H28N4OS/c1-25-22(20-10-6-7-11-21(20)28-2)24-27(23(25)29)17-26-14-12-19(13-15-26)16-18-8-4-3-5-9-18/h3-11,19H,12-17H2,1-2H3/p+1