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

Systemtic Name: 4-[(3R)-3-(4-methylpiperidin-1-ium-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: 4-[(3R)-3-(4-methylpiperidin-1-ium-1-yl)-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[(3R)-3-(4-methyl-1-piperidin-1-iumyl)-2,5-dioxo-1-pyrrolidinyl]benzoate IUPAC Name: 4-[(3R)-3-(4-methylpiperidin-1-ium-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[(3R)-2,5-diketo-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidino]benzoate Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)[C@@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C17H20N2O4/c1-11-6-8-18(9-7-11)14-10-15(20)19(16(14)21)13-4-2-12(3-5-13)17(22)23/h2-5,11,14H,6-10H2,1H3,(H,22,23)/t14-/m1/s1