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

Systemtic Name: methyl 4-[(3S)-2,5-bis(oxidanylidene)-3-(4-oxidanylpiperidin-1-ium-1-yl)pyrrolidin-1-yl]benzoate Openeye Name: methyl 4-[(3S)-3-(4-hydroxypiperidin-1-ium-1-yl)-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[(3S)-3-(4-hydroxy-1-piperidin-1-iumyl)-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3S)-3-(4-hydroxypiperidin-1-ium-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[(3S)-3-(4-hydroxypiperidin-1-ium-1-yl)-2,5-diketo-pyrrolidino]benzoic acid methyl ester Formula: C17H21N2O5+ MolecularWeight: 333.35904

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5/c1-24-17(23)11-2-4-12(5-3-11)19-15(21)10-14(16(19)22)18-8-6-13(20)7-9-18/h2-5,13-14,20H,6-10H2,1H3/p+1/t14-/m0/s1