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

Systemtic Name: N-(4-butylphenyl)-3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Openeye Name: N-(4-butylphenyl)-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide CAS Name: N-(4-butylphenyl)-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide IUPAC Name: N-(4-butylphenyl)-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Traditional Name: N-(4-butylphenyl)-3-keto-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Formula: C26H29N4O2+ MolecularWeight: 429.53406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=C3C(=C[N+](=C2)CCC)C(=O)N(N3)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=C3C(=C[N+](=C2)CCC)C(=O)N(N3)C4=CC=CC=C4

InChI

InChI=1S/C26H28N4O2/c1-3-5-9-19-12-14-20(15-13-19)27-25(31)22-17-29(16-4-2)18-23-24(22)28-30(26(23)32)21-10-7-6-8-11-21/h6-8,10-15,17-18H,3-5,9,16H2,1-2H3,(H,27,31)/p+1