methyl 4-[(3S)-3-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: methyl 4-[(3S)-3-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: methyl 4-[(3S)-3-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[(3S)-3-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3S)-3-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[(3S)-3-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-2,5-diketo-pyrrolidino]benzoic acid methyl ester Formula: C23H23FN3O5+ MolecularWeight: 440.444223

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4F

InChI

InChI=1S/C23H22FN3O5/c1-32-23(31)15-6-8-16(9-7-15)27-20(28)14-19(22(27)30)25-10-12-26(13-11-25)21(29)17-4-2-3-5-18(17)24/h2-9,19H,10-14H2,1H3/p+1/t19-/m0/s1