ethyl (3R)-1-[(3S)-2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(3S)-2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(3S)-2,5-dioxo-1-phenyl-pyrrolidin-3-yl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(3S)-2,5-dioxo-1-phenyl-3-pyrrolidinyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(3S)-2,5-diketo-1-phenyl-pyrrolidin-3-yl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H23N2O4+ MolecularWeight: 331.38622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)C2CC(=O)N(C2=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)[C@H]2CC(=O)N(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C18H22N2O4/c1-2-24-18(23)13-7-6-10-19(12-13)15-11-16(21)20(17(15)22)14-8-4-3-5-9-14/h3-5,8-9,13,15H,2,6-7,10-12H2,1H3/p+1/t13-,15+/m1/s1