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

Systemtic Name: 2-[2-methyl-3-(phenylmethyl)imidazol-3-ium-1-yl]ethyl 2-cycloheptyl-2-oxidanyl-2-phenyl-ethanoate bromide Openeye Name: 2-(3-benzyl-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-[2-methyl-3-(phenylmethyl)-1-imidazol-3-iumyl]ethyl ester bromide IUPAC Name: 2-(3-benzyl-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-benzyl-2-methyl-imidazol-3-ium-1-yl)ethyl ester bromide Formula: C28H35BrN2O3 MolecularWeight: 527.4931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35N2O3.BrH/c1-23-29(18-19-30(23)22-24-12-6-4-7-13-24)20-21-33-27(31)28(32,26-16-10-5-11-17-26)25-14-8-2-3-9-15-25;/h4-7,10-13,16-19,25,32H,2-3,8-9,14-15,20-22H2,1H3;1H/q+1;/p-1