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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCOCC3

InChI

InChI=1S/C17H20N2O5/c1-2-24-17(22)12-3-5-13(6-4-12)19-15(20)11-14(16(19)21)18-7-9-23-10-8-18/h3-6,14H,2,7-11H2,1H3/p+1/t14-/m0/s1