(3S)-1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C16H22N5OS+ MolecularWeight: 332.44378

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN(C1=S)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CN1C=NN(C1=S)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C16H21N5OS/c1-19-11-17-21(16(19)23)12-20-9-5-6-13(10-20)15(22)18-14-7-3-2-4-8-14/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3,(H,18,22)/p+1/t13-/m0/s1