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

Systemtic Name: 1-[[3-(3-azanyl-3-oxidanylidene-propyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[[3-(3-amino-3-oxo-propyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[[3-(3-amino-3-oxopropyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[3-(3-amino-3-oxopropyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[[3-(3-amino-3-keto-propyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C19H27N6O2S+ MolecularWeight: 403.52168

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3)CCC(=O)N

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3)CCC(=O)N

InChI

InChI=1S/C19H26N6O2S/c1-23-17(8-7-16(20)26)22-25(19(23)28)13-24-11-9-14(10-12-24)18(27)21-15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3,(H2,20,26)(H,21,27)/p+1