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

Systemtic Name: 4-methyl-5-(phenylmethyl)-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-benzyl-2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 4-methyl-5-(phenylmethyl)-2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-benzyl-2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 5-benzyl-2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-methyl-1,2,4-triazole-3-thione Formula: C23H29N4S+ MolecularWeight: 393.56816

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N4S/c1-25-22(17-20-10-6-3-7-11-20)24-27(23(25)28)18-26-14-12-21(13-15-26)16-19-8-4-2-5-9-19/h2-11,21H,12-18H2,1H3/p+1