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

Systemtic Name: N-(3-methylbutyl)-3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Openeye Name: N-isopentyl-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide CAS Name: N-(3-methylbutyl)-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide IUPAC Name: N-(3-methylbutyl)-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Traditional Name: N-isoamyl-3-keto-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Formula: C21H27N4O2+ MolecularWeight: 367.46468

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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)NCCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2/c1-4-12-24-13-17(20(26)22-11-10-15(2)3)19-18(14-24)21(27)25(23-19)16-8-6-5-7-9-16/h5-9,13-15H,4,10-12H2,1-3H3,(H,22,26)/p+1