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

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium bromide Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium bromide CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium bromide IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium bromide Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrol[1,2-a]imidazol-4-ium bromide Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C([N+]3=C2CCC3)C4=CC5=C(C=C4)OCCO5.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C([N+]3=C2CCC3)C4=CC5=C(C=C4)OCCO5.[Br-]

InChI

InChI=1S/C21H21N2O3.BrH/c1-24-17-7-5-16(6-8-17)23-14-18(22-10-2-3-21(22)23)15-4-9-19-20(13-15)26-12-11-25-19;/h4-9,13-14H,2-3,10-12H2,1H3;1H/q+1;/p-1