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

Systemtic Name: N-butyl-3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Openeye Name: N-butyl-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide CAS Name: N-butyl-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide IUPAC Name: N-butyl-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Traditional Name: N-butyl-3-keto-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C2C(=C[N+](=C1)CCC)C(=O)N(N2)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)C1=C2C(=C[N+](=C1)CCC)C(=O)N(N2)C3=CC=CC=C3

InChI

InChI=1S/C20H24N4O2/c1-3-5-11-21-19(25)16-13-23(12-4-2)14-17-18(16)22-24(20(17)26)15-9-7-6-8-10-15/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,21,25)/p+1