1-[(3R)-1-(2-methylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(3R)-1-(2-methylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(3R)-1-(o-tolyl)-2,5-dioxo-pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3R)-1-(2-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(3R)-2,5-diketo-1-(o-tolyl)pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)CC(C2=O)[NH+]3CCC(CC3)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C[C@H](C2=O)[NH+]3CCC(CC3)C(=O)[O-]

InChI

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