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

Systemtic Name: butyl 4-[(3R)-2,5-bis(oxidanylidene)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidin-1-yl]benzoate Openeye Name: butyl 4-[(3R)-2,5-dioxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidin-1-yl]benzoate CAS Name: 4-[(3R)-2,5-dioxo-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-1-pyrrolidinyl]benzoic acid butyl ester IUPAC Name: butyl 4-[(3R)-2,5-dioxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidin-1-yl]benzoate Traditional Name: 4-[(3R)-2,5-diketo-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)pyrrolidino]benzoic acid butyl ester Formula: C24H30N4O4+2 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C24H28N4O4/c1-2-3-16-32-24(31)18-7-9-19(10-8-18)28-22(29)17-20(23(28)30)26-12-14-27(15-13-26)21-6-4-5-11-25-21/h4-11,20H,2-3,12-17H2,1H3/p+2/t20-/m1/s1