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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-2-phenyl-5-(phenylmethyl)-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-benzyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-phenyl-5-(phenylmethyl)-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-benzyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Traditional Name: 5-benzyl-3-keto-2-phenyl-N-piperonyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Formula: C28H23N4O4+ MolecularWeight: 479.50662

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C4C(=C[N+](=C3)CC5=CC=CC=C5)C(=O)N(N4)C6=CC=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C4C(=C[N+](=C3)CC5=CC=CC=C5)C(=O)N(N4)C6=CC=CC=C6

InChI

InChI=1S/C28H22N4O4/c33-27(29-14-20-11-12-24-25(13-20)36-18-35-24)22-16-31(15-19-7-3-1-4-8-19)17-23-26(22)30-32(28(23)34)21-9-5-2-6-10-21/h1-13,16-17H,14-15,18H2,(H,29,33)/p+1