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

Systemtic Name: 3-[(3S)-3-(4-methylpiperidin-1-ium-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: 3-[(3S)-3-(4-methylpiperidin-1-ium-1-yl)-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 3-[(3S)-3-(4-methyl-1-piperidin-1-iumyl)-2,5-dioxo-1-pyrrolidinyl]benzoate IUPAC Name: 3-[(3S)-3-(4-methylpiperidin-1-ium-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 3-[(3S)-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=CC(=C3)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4/c1-11-5-7-18(8-6-11)14-10-15(20)19(16(14)21)13-4-2-3-12(9-13)17(22)23/h2-4,9,11,14H,5-8,10H2,1H3,(H,22,23)/t14-/m0/s1