ethyl 1-[(3S)-1-(4-ethoxycarbonylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(3S)-1-(4-ethoxycarbonylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(3S)-1-(4-ethoxycarbonylphenyl)-2,5-dioxo-pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3S)-1-(4-ethoxycarbonylphenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3S)-1-(4-ethoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(3S)-1-(4-carbethoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H27N2O6+ MolecularWeight: 403.44888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C21H26N2O6/c1-3-28-20(26)14-5-7-16(8-6-14)23-18(24)13-17(19(23)25)22-11-9-15(10-12-22)21(27)29-4-2/h5-8,15,17H,3-4,9-13H2,1-2H3/p+1/t17-/m0/s1