ethyl 2-[4-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-yl)carbonyl]piperazin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-yl)carbonyl]piperazin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[4-(5-methyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carbonyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-yl)-oxomethyl]-1-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(5-methyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carbonyl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(3-keto-5-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carbonyl)piperazin-1-ium-1-yl]acetic acid ethyl ester Formula: C22H27N5O4+2 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[NH+]1CCN(CC1)C(=O)C2=C3C(=C[N+](=C2)C)C(=O)N(N3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C[NH+]1CCN(CC1)C(=O)C2=C3C(=C[N+](=C2)C)C(=O)N(N3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O4/c1-3-31-19(28)15-25-9-11-26(12-10-25)21(29)17-13-24(2)14-18-20(17)23-27(22(18)30)16-7-5-4-6-8-16/h4-8,13-14H,3,9-12,15H2,1-2H3/p+2