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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxidanylidene-2-phenyl-5-prop-2-enyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Openeye Name: 5-allyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxo-2-phenyl-5-prop-2-enyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxo-2-phenyl-5-prop-2-enyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Traditional Name: 5-allyl-N-homoveratryl-3-keto-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Formula: C26H27N4O4+ MolecularWeight: 459.51698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=C3C(=C[N+](=C2)CC=C)C(=O)N(N3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=C3C(=C[N+](=C2)CC=C)C(=O)N(N3)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H26N4O4/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/h4-11,15-17H,1,12-14H2,2-3H3,(H,27,31)/p+1