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

Systemtic Name: methyl 2-[4-[(3-oxidanylidene-2-phenyl-5-propan-2-yl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-yl)carbonyl]piperazin-1-ium-1-yl]ethanoate Openeye Name: methyl 2-[4-(5-isopropyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carbonyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-[oxo-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-yl)methyl]-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carbonyl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(5-isopropyl-3-keto-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carbonyl)piperazin-1-ium-1-yl]acetic acid methyl ester Formula: C23H29N5O4+2 MolecularWeight: 439.50746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)N4CC[NH+](CC4)CC(=O)OC

Isomeric SMILES

CC(C)[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)N4CC[NH+](CC4)CC(=O)OC

InChI

InChI=1S/C23H27N5O4/c1-16(2)27-13-18(22(30)26-11-9-25(10-12-26)15-20(29)32-3)21-19(14-27)23(31)28(24-21)17-7-5-4-6-8-17/h4-8,13-14,16H,9-12,15H2,1-3H3/p+2