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

Systemtic Name: ethyl 4-[(3S)-2,5-bis(oxidanylidene)-3-(4-oxidanylpiperidin-1-ium-1-yl)pyrrolidin-1-yl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H23N2O5+ MolecularWeight: 347.38562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5/c1-2-25-18(24)12-3-5-13(6-4-12)20-16(22)11-15(17(20)23)19-9-7-14(21)8-10-19/h3-6,14-15,21H,2,7-11H2,1H3/p+1/t15-/m0/s1