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

Systemtic Name: 4-[(3S)-3-(4-methylpiperidin-1-ium-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-4-[(3S)-3-(4-methylpiperidin-1-ium-1-yl)-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 2-hydroxy-4-[(3S)-3-(4-methyl-1-piperidin-1-iumyl)-2,5-dioxo-1-pyrrolidinyl]benzoate IUPAC Name: 2-hydroxy-4-[(3S)-3-(4-methylpiperidin-1-ium-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[(3S)-2,5-diketo-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidino]-2-hydroxy-benzoate Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5/c1-10-4-6-18(7-5-10)13-9-15(21)19(16(13)22)11-2-3-12(17(23)24)14(20)8-11/h2-3,8,10,13,20H,4-7,9H2,1H3,(H,23,24)/t13-/m0/s1