ethyl 4-[(3R)-2,5-bis(oxidanylidene)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[(3R)-2,5-bis(oxidanylidene)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[(3R)-2,5-dioxo-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidin-1-yl]benzoate CAS Name: 4-[(3R)-2,5-dioxo-3-(4-phenyl-1-piperazin-1-iumyl)-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3R)-2,5-dioxo-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidin-1-yl]benzoate Traditional Name: 4-[(3R)-2,5-diketo-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidino]benzoic acid ethyl ester Formula: C23H26N3O4+ MolecularWeight: 408.47024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4/c1-2-30-23(29)17-8-10-19(11-9-17)26-21(27)16-20(22(26)28)25-14-12-24(13-15-25)18-6-4-3-5-7-18/h3-11,20H,2,12-16H2,1H3/p+1/t20-/m1/s1