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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@@H]2CC(=O)N(C2=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C18H21BrN2O4/c1-2-25-18(24)12-6-8-20(9-7-12)15-11-16(22)21(17(15)23)14-5-3-4-13(19)10-14/h3-5,10,12,15H,2,6-9,11H2,1H3/p+1/t15-/m1/s1