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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Traditional Name: 3-keto-5-methyl-2-phenyl-N-piperonyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Formula: C22H19N4O4+ MolecularWeight: 403.41066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O4/c1-25-11-16(21(27)23-10-14-7-8-18-19(9-14)30-13-29-18)20-17(12-25)22(28)26(24-20)15-5-3-2-4-6-15/h2-9,11-12H,10,13H2,1H3,(H,23,27)/p+1