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

Systemtic Name: ethyl 4-[(3S)-3-(4-ethylpiperazin-1-ium-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[(3S)-3-(4-ethylpiperazin-1-ium-1-yl)-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[(3S)-3-(4-ethyl-1-piperazin-1-iumyl)-2,5-dioxo-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3-(4-ethylpiperazin-1-ium-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[(3S)-3-(4-ethylpiperazin-1-ium-1-yl)-2,5-diketo-pyrrolidino]benzoic acid ethyl ester Formula: C19H26N3O4+ MolecularWeight: 360.42744

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCN1CC[NH+](CC1)[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C19H25N3O4/c1-3-20-9-11-21(12-10-20)16-13-17(23)22(18(16)24)15-7-5-14(6-8-15)19(25)26-4-2/h5-8,16H,3-4,9-13H2,1-2H3/p+1/t16-/m0/s1