1-butyl-3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium bromide

Systemtic Name: 1-butyl-3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium bromide Openeye Name: 1-butyl-3-(p-tolyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium bromide CAS Name: 1-butyl-3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium bromide IUPAC Name: 1-butyl-3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium bromide Traditional Name: 1-butyl-3-(p-tolyl)-6,7-dihydro-5H-pyrrol[1,2-a]imidazol-1-ium bromide Formula: C17H23BrN2 MolecularWeight: 335.28192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C2CCCN2C(=C1)C3=CC=C(C=C3)C.[Br-]

Isomeric SMILES

CCCC[N+]1=C2CCCN2C(=C1)C3=CC=C(C=C3)C.[Br-]

InChI

InChI=1S/C17H23N2.BrH/c1-3-4-11-18-13-16(19-12-5-6-17(18)19)15-9-7-14(2)8-10-15;/h7-10,13H,3-6,11-12H2,1-2H3;1H/q+1;/p-1