2-[3-(2-oxidanylidene-4,4-diphenyl-imidazolidin-1-yl)-1-(2-phenoxyethyl)pyrrolidin-1-ium-1-yl]ethanenitrile bromide

Systemtic Name: 2-[3-(2-oxidanylidene-4,4-diphenyl-imidazolidin-1-yl)-1-(2-phenoxyethyl)pyrrolidin-1-ium-1-yl]ethanenitrile bromide Openeye Name: 2-[3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-1-(2-phenoxyethyl)pyrrolidin-1-ium-1-yl]acetonitrile bromide CAS Name: 2-[3-(2-oxo-4,4-diphenyl-1-imidazolidinyl)-1-(2-phenoxyethyl)-1-pyrrolidin-1-iumyl]acetonitrile bromide IUPAC Name: 2-[3-(2-oxo-4,4-diphenylimidazolidin-1-yl)-1-(2-phenoxyethyl)pyrrolidin-1-ium-1-yl]acetonitrile bromide Traditional Name: 2-[3-(2-keto-4,4-diphenyl-imidazolidin-1-yl)-1-(2-phenoxyethyl)pyrrolidin-1-ium-1-yl]acetonitrile bromide Formula: C29H31BrN4O2 MolecularWeight: 547.48604

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CC1N2CC(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4)(CCOC5=CC=CC=C5)CC#N.[Br-]

Isomeric SMILES

C1C[N+](CC1N2CC(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4)(CCOC5=CC=CC=C5)CC#N.[Br-]

InChI

InChI=1S/C29H30N4O2.BrH/c30-17-19-33(20-21-35-27-14-8-3-9-15-27)18-16-26(22-33)32-23-29(31-28(32)34,24-10-4-1-5-11-24)25-12-6-2-7-13-25;/h1-15,26H,16,18-23H2;1H