methyl 4-[(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)methyl]benzoate bromide

Systemtic Name: methyl 4-[(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)methyl]benzoate bromide Openeye Name: methyl 4-[(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)methyl]benzoate bromide CAS Name: 4-[(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)methyl]benzoic acid methyl ester bromide IUPAC Name: methyl 4-[(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)methyl]benzoate bromide Traditional Name: 4-[(3-phenyl-6,7-dihydro-5H-pyrrol[1,2-a]imidazol-1-ium-1-yl)methyl]benzoic acid methyl ester bromide Formula: C21H21BrN2O2 MolecularWeight: 413.30764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[N+]2=C3CCCN3C(=C2)C4=CC=CC=C4.[Br-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[N+]2=C3CCCN3C(=C2)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C21H21N2O2.BrH/c1-25-21(24)18-11-9-16(10-12-18)14-22-15-19(17-6-3-2-4-7-17)23-13-5-8-20(22)23;/h2-4,6-7,9-12,15H,5,8,13-14H2,1H3;1H/q+1;/p-1