N-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Traditional Name: 3-keto-2-phenyl-N-piperonyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Formula: C24H23N4O4+ MolecularWeight: 431.46382

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H22N4O4/c1-2-10-27-13-18(23(29)25-12-16-8-9-20-21(11-16)32-15-31-20)22-19(14-27)24(30)28(26-22)17-6-4-3-5-7-17/h3-9,11,13-14H,2,10,12,15H2,1H3,(H,25,29)/p+1