2-[3-[(4-bromophenyl)methyl]-2-methyl-imidazol-3-ium-1-yl]ethyl 2-cycloheptyl-2-oxidanyl-2-phenyl-ethanoate bromide

Systemtic Name: 2-[3-[(4-bromophenyl)methyl]-2-methyl-imidazol-3-ium-1-yl]ethyl 2-cycloheptyl-2-oxidanyl-2-phenyl-ethanoate bromide Openeye Name: 2-[3-[(4-bromophenyl)methyl]-2-methyl-imidazol-3-ium-1-yl]ethyl 2-cycloheptyl-2-hydroxy-2-phenyl-acetate bromide CAS Name: 2-cycloheptyl-2-hydroxy-2-phenylacetic acid 2-[3-[(4-bromophenyl)methyl]-2-methyl-1-imidazol-3-iumyl]ethyl ester bromide IUPAC Name: 2-[3-[(4-bromophenyl)methyl]-2-methylimidazol-3-ium-1-yl]ethyl 2-cycloheptyl-2-hydroxy-2-phenylacetate bromide Traditional Name: 2-cycloheptyl-2-hydroxy-2-phenyl-acetic acid 2-[3-(4-bromobenzyl)-2-methyl-imidazol-3-ium-1-yl]ethyl ester bromide Formula: C28H34Br2N2O3 MolecularWeight: 606.38916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1CCOC(=O)C(C2CCCCCC2)(C3=CC=CC=C3)O)CC4=CC=C(C=C4)Br.[Br-]

Isomeric SMILES

CC1=[N+](C=CN1CCOC(=O)C(C2CCCCCC2)(C3=CC=CC=C3)O)CC4=CC=C(C=C4)Br.[Br-]

InChI

InChI=1S/C28H34BrN2O3.BrH/c1-22-30(17-18-31(22)21-23-13-15-26(29)16-14-23)19-20-34-27(32)28(33,25-11-7-4-8-12-25)24-9-5-2-3-6-10-24;/h4,7-8,11-18,24,33H,2-3,5-6,9-10,19-21H2,1H3;1H/q+1;/p-1