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

Systemtic Name: 1-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C15H20N5OS+ MolecularWeight: 318.4172

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CN2C(=S)N=C(N2)C3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CN2C(=S)N=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C15H19N5OS/c16-13(21)11-6-8-19(9-7-11)10-20-15(22)17-14(18-20)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H2,16,21)(H,17,18,22)/p+1