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

Systemtic Name: 1-[[3-(1,3-benzodioxol-5-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[3-(1,3-benzodioxol-5-yl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[3-(1,3-benzodioxol-5-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[3-(1,3-benzodioxol-5-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[3-(1,3-benzodioxol-5-yl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C22H24N5O3S+ MolecularWeight: 438.52266

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CN2C(=S)N(C(=N2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CN2C(=S)N(C(=N2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C22H23N5O3S/c23-20(28)15-8-10-25(11-9-15)13-26-22(31)27(17-4-2-1-3-5-17)21(24-26)16-6-7-18-19(12-16)30-14-29-18/h1-7,12,15H,8-11,13-14H2,(H2,23,28)/p+1