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

Systemtic Name: 4-methyl-3-[(3R)-3-(4-methylpiperidin-1-ium-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: 4-methyl-3-[(3R)-3-(4-methylpiperidin-1-ium-1-yl)-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-methyl-3-[(3R)-3-(4-methyl-1-piperidin-1-iumyl)-2,5-dioxo-1-pyrrolidinyl]benzoate IUPAC Name: 4-methyl-3-[(3R)-3-(4-methylpiperidin-1-ium-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 3-[(3R)-2,5-diketo-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidino]-4-methyl-benzoate Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4/c1-11-5-7-19(8-6-11)15-10-16(21)20(17(15)22)14-9-13(18(23)24)4-3-12(14)2/h3-4,9,11,15H,5-8,10H2,1-2H3,(H,23,24)/t15-/m1/s1