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

Systemtic Name: 5-[(3R)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-oxidanyl-benzoate Openeye Name: 5-[(3R)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2,5-dioxo-pyrrolidin-1-yl]-2-hydroxy-benzoate CAS Name: 5-[(3R)-3-[(2S)-2-ethyl-1-piperidin-1-iumyl]-2,5-dioxo-1-pyrrolidinyl]-2-hydroxybenzoate IUPAC Name: 5-[(3R)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoate Traditional Name: 5-[(3R)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2,5-diketo-pyrrolidino]-2-hydroxy-benzoate Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1C2CC(=O)N(C2=O)C3=CC(=C(C=C3)O)C(=O)[O-]

Isomeric SMILES

CC[C@H]1CCCC[NH+]1[C@@H]2CC(=O)N(C2=O)C3=CC(=C(C=C3)O)C(=O)[O-]

InChI

InChI=1S/C18H22N2O5/c1-2-11-5-3-4-8-19(11)14-10-16(22)20(17(14)23)12-6-7-15(21)13(9-12)18(24)25/h6-7,9,11,14,21H,2-5,8,10H2,1H3,(H,24,25)/t11-,14+/m0/s1