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

Systemtic Name: 1-[[3-(furan-2-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[3-(2-furyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[3-(2-furanyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[3-(furan-2-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[3-(2-furyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C19H22N5O2S+ MolecularWeight: 384.47528

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CN2C(=S)N(C(=N2)C3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CN2C(=S)N(C(=N2)C3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C19H21N5O2S/c20-17(25)14-8-10-22(11-9-14)13-23-19(27)24(15-5-2-1-3-6-15)18(21-23)16-7-4-12-26-16/h1-7,12,14H,8-11,13H2,(H2,20,25)/p+1