2-[[methyl-(1-methylpiperidin-1-ium-4-yl)amino]methyl]-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[methyl-(1-methylpiperidin-1-ium-4-yl)amino]methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[methyl-(1-methylpiperidin-1-ium-4-yl)amino]methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[methyl-(1-methyl-4-piperidin-1-iumyl)amino]methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[methyl-(1-methylpiperidin-1-ium-4-yl)amino]methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[methyl-(1-methylpiperidin-1-ium-4-yl)amino]methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C16H24N5S+ MolecularWeight: 318.46026

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)CN2C(=S)N(C=N2)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)CN2C(=S)N(C=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H23N5S/c1-18-10-8-14(9-11-18)19(2)13-21-16(22)20(12-17-21)15-6-4-3-5-7-15/h3-7,12,14H,8-11,13H2,1-2H3/p+1