N-(1,3-benzodioxol-5-yl)-1-[(5-oxidanylidene-4-phenyl-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-phenyl-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-phenyl-tetrazol-1-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(5-oxo-4-phenyl-1-tetrazolyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(5-oxo-4-phenyltetrazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(5-keto-4-phenyl-tetrazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C21H23N6O4+ MolecularWeight: 423.44512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O4/c28-20(22-16-6-7-18-19(12-16)31-14-30-18)15-8-10-25(11-9-15)13-26-21(29)27(24-23-26)17-4-2-1-3-5-17/h1-7,12,15H,8-11,13-14H2,(H,22,28)/p+1