butyl 4-[(3R)-2,5-bis(oxidanylidene)-3-(4-pyridin-3-ylcarbonylpiperazin-1-ium-1-yl)pyrrolidin-1-yl]benzoate

Systemtic Name: butyl 4-[(3R)-2,5-bis(oxidanylidene)-3-(4-pyridin-3-ylcarbonylpiperazin-1-ium-1-yl)pyrrolidin-1-yl]benzoate Openeye Name: butyl 4-[(3R)-2,5-dioxo-3-[4-(pyridine-3-carbonyl)piperazin-1-ium-1-yl]pyrrolidin-1-yl]benzoate CAS Name: 4-[(3R)-2,5-dioxo-3-[4-[oxo(3-pyridinyl)methyl]-1-piperazin-1-iumyl]-1-pyrrolidinyl]benzoic acid butyl ester IUPAC Name: butyl 4-[(3R)-2,5-dioxo-3-[4-(pyridine-3-carbonyl)piperazin-1-ium-1-yl]pyrrolidin-1-yl]benzoate Traditional Name: 4-[(3R)-2,5-diketo-3-(4-nicotinoylpiperazin-1-ium-1-yl)pyrrolidino]benzoic acid butyl ester Formula: C25H29N4O5+ MolecularWeight: 465.52156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C(=O)C4=CN=CC=C4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCN(CC3)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C25H28N4O5/c1-2-3-15-34-25(33)18-6-8-20(9-7-18)29-22(30)16-21(24(29)32)27-11-13-28(14-12-27)23(31)19-5-4-10-26-17-19/h4-10,17,21H,2-3,11-16H2,1H3/p+1/t21-/m1/s1