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

Systemtic Name: 1-[(3S)-1-(4-methoxycarbonylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(3S)-1-(4-methoxycarbonylphenyl)-2,5-dioxo-pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3S)-1-(4-methoxycarbonylphenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(3S)-1-(4-methoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(3S)-1-(4-carbomethoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6/c1-26-18(25)12-2-4-13(5-3-12)20-15(21)10-14(16(20)22)19-8-6-11(7-9-19)17(23)24/h2-5,11,14H,6-10H2,1H3,(H,23,24)/t14-/m0/s1