methyl (2R)-2-(2-chlorophenyl)-2-[4-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(2-chlorophenyl)-2-[4-[oxo-[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(2-chlorophenyl)-2-[4-[4-(2-ketopyrrolidino)benzoyl]piperazin-1-ium-1-yl]acetic acid methyl ester Formula: C24H27ClN3O4+ MolecularWeight: 456.94188

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1Cl)[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)N4CCCC4=O

Isomeric SMILES

COC(=O)[C@@H](C1=CC=CC=C1Cl)[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)N4CCCC4=O

InChI

InChI=1S/C24H26ClN3O4/c1-32-24(31)22(19-5-2-3-6-20(19)25)26-13-15-27(16-14-26)23(30)17-8-10-18(11-9-17)28-12-4-7-21(28)29/h2-3,5-6,8-11,22H,4,7,12-16H2,1H3/p+1/t22-/m1/s1