N-(1,3-benzodioxol-5-yl)-1-[(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[[5-oxo-4-(2-thienyl)tetrazol-1-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(5-oxo-4-thiophen-2-yl-1-tetrazolyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(5-oxo-4-thiophen-2-yltetrazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[[5-keto-4-(2-thienyl)tetrazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C19H21N6O4S+ MolecularWeight: 429.47284

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CN4C(=O)N(N=N4)C5=CC=CS5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CN4C(=O)N(N=N4)C5=CC=CS5

InChI

InChI=1S/C19H20N6O4S/c26-18(20-14-3-4-15-16(10-14)29-12-28-15)13-5-7-23(8-6-13)11-24-19(27)25(22-21-24)17-2-1-9-30-17/h1-4,9-10,13H,5-8,11-12H2,(H,20,26)/p+1