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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Traditional Name: N-homoveratryl-3-keto-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Formula: C26H29N4O4+ MolecularWeight: 461.53286

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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)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H28N4O4/c1-4-14-29-16-20(24-21(17-29)26(32)30(28-24)19-8-6-5-7-9-19)25(31)27-13-12-18-10-11-22(33-2)23(15-18)34-3/h5-11,15-17H,4,12-14H2,1-3H3,(H,27,31)/p+1