1-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium bromide

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium bromide Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-(p-tolyl)imidazo[1,2-a]pyridin-4-ium bromide CAS Name: 1-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium bromide IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium bromide Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-(p-tolyl)imidazo[1,2-a]pyridin-4-ium bromide Formula: C21H17BrN2O2 MolecularWeight: 409.27588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C[N+]3=CC=CC=C3N2C4=CC5=C(C=C4)OCO5.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C[N+]3=CC=CC=C3N2C4=CC5=C(C=C4)OCO5.[Br-]

InChI

InChI=1S/C21H17N2O2.BrH/c1-15-5-7-16(8-6-15)18-13-22-11-3-2-4-21(22)23(18)17-9-10-19-20(12-17)25-14-24-19;/h2-13H,14H2,1H3;1H/q+1;/p-1