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

Systemtic Name: 4-[(3S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: 4-[(3S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[(3S)-3-(4-methoxycarbonyl-1-piperidin-1-iumyl)-2,5-dioxo-1-pyrrolidinyl]benzoate IUPAC Name: 4-[(3S)-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[(3S)-3-(4-carbomethoxypiperidin-1-ium-1-yl)-2,5-diketo-pyrrolidino]benzoate Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6/c1-26-18(25)12-6-8-19(9-7-12)14-10-15(21)20(16(14)22)13-4-2-11(3-5-13)17(23)24/h2-5,12,14H,6-10H2,1H3,(H,23,24)/t14-/m0/s1