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

Systemtic Name: 4-[(3R)-2,5-bis(oxidanylidene)-3-piperidin-1-ium-1-yl-pyrrolidin-1-yl]-2-oxidanyl-benzoate Openeye Name: 4-[(3R)-2,5-dioxo-3-piperidin-1-ium-1-yl-pyrrolidin-1-yl]-2-hydroxy-benzoate CAS Name: 4-[(3R)-2,5-dioxo-3-(1-piperidin-1-iumyl)-1-pyrrolidinyl]-2-hydroxybenzoate IUPAC Name: 4-[(3R)-2,5-dioxo-3-piperidin-1-ium-1-ylpyrrolidin-1-yl]-2-hydroxybenzoate Traditional Name: 4-[(3R)-2,5-diketo-3-piperidin-1-ium-1-yl-pyrrolidino]-2-hydroxy-benzoate Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC(=C(C=C3)C(=O)[O-])O

Isomeric SMILES

C1CC[NH+](CC1)[C@@H]2CC(=O)N(C2=O)C3=CC(=C(C=C3)C(=O)[O-])O

InChI

InChI=1S/C16H18N2O5/c19-13-8-10(4-5-11(13)16(22)23)18-14(20)9-12(15(18)21)17-6-2-1-3-7-17/h4-5,8,12,19H,1-3,6-7,9H2,(H,22,23)/t12-/m1/s1