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

Systemtic Name: 4-[(3S)-3-(4-ethoxycarbonylpiperidin-1-ium-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: 4-[(3S)-3-(4-ethoxycarbonylpiperidin-1-ium-1-yl)-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[(3S)-3-(4-ethoxycarbonyl-1-piperidin-1-iumyl)-2,5-dioxo-1-pyrrolidinyl]benzoate IUPAC Name: 4-[(3S)-3-(4-ethoxycarbonylpiperidin-1-ium-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[(3S)-3-(4-carbethoxypiperidin-1-ium-1-yl)-2,5-diketo-pyrrolidino]benzoate Formula: C19H22N2O6 MolecularWeight: 374.38778

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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)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O6/c1-2-27-19(26)13-7-9-20(10-8-13)15-11-16(22)21(17(15)23)14-5-3-12(4-6-14)18(24)25/h3-6,13,15H,2,7-11H2,1H3,(H,24,25)/t15-/m0/s1