ethyl (3S)-1-[(3R)-1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(3R)-1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(3R)-1-(4-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(3R)-1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(3R)-1-(4-bromophenyl)-2,5-diketo-pyrrolidin-3-yl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H22BrN2O4+ MolecularWeight: 410.28228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN2O4/c1-2-25-18(24)12-4-3-9-20(11-12)15-10-16(22)21(17(15)23)14-7-5-13(19)6-8-14/h5-8,12,15H,2-4,9-11H2,1H3/p+1/t12-,15+/m0/s1