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

Systemtic Name: ethyl 4-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-yl)carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-(5-methyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-yl)-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-methyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(3-keto-5-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C21H24N5O4+ MolecularWeight: 410.44636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C3C(=C[N+](=C2)C)C(=O)N(N3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C3C(=C[N+](=C2)C)C(=O)N(N3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O4/c1-3-30-21(29)25-11-9-24(10-12-25)19(27)16-13-23(2)14-17-18(16)22-26(20(17)28)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3/p+1