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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCC(CC3)C(=O)[O-])C

InChI

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