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

Systemtic Name: 1-[[5-(methylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[[5-(methylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[[5-(methylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[5-(methylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[[5-(methylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C16H22N5OS2+ MolecularWeight: 364.50878

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NN(C(=S)S1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CNC1=NN(C(=S)S1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C16H21N5OS2/c1-17-15-19-21(16(23)24-15)11-20-9-7-12(8-10-20)14(22)18-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,17,19)(H,18,22)/p+1