(phenylmethyl) 2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)ethanoate bromide

Systemtic Name: (phenylmethyl) 2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)ethanoate bromide Openeye Name: benzyl 2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)acetate bromide CAS Name: 2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)acetic acid (phenylmethyl) ester bromide IUPAC Name: benzyl 2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)acetate bromide Traditional Name: 2-(3-phenyl-6,7-dihydro-5H-pyrrol[1,2-a]imidazol-1-ium-1-yl)acetic acid benzyl ester bromide Formula: C21H21BrN2O2 MolecularWeight: 413.30764

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=[N+](C=C(N2C1)C3=CC=CC=C3)CC(=O)OCC4=CC=CC=C4.[Br-]

Isomeric SMILES

C1CC2=[N+](C=C(N2C1)C3=CC=CC=C3)CC(=O)OCC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C21H21N2O2.BrH/c24-21(25-16-17-8-3-1-4-9-17)15-22-14-19(18-10-5-2-6-11-18)23-13-7-12-20(22)23;/h1-6,8-11,14H,7,12-13,15-16H2;1H/q+1;/p-1