2-[2-azanyl-4-(3-bromophenyl)-3-methyl-imidazol-1-ium-1-yl]-1-(1,3-benzodioxol-5-yl)ethanone

Systemtic Name: 2-[2-azanyl-4-(3-bromophenyl)-3-methyl-imidazol-1-ium-1-yl]-1-(1,3-benzodioxol-5-yl)ethanone Openeye Name: 2-[2-amino-4-(3-bromophenyl)-3-methyl-imidazol-1-ium-1-yl]-1-(1,3-benzodioxol-5-yl)ethanone CAS Name: 2-[2-amino-4-(3-bromophenyl)-3-methyl-1-imidazol-1-iumyl]-1-(1,3-benzodioxol-5-yl)ethanone IUPAC Name: 2-[2-amino-4-(3-bromophenyl)-3-methylimidazol-1-ium-1-yl]-1-(1,3-benzodioxol-5-yl)ethanone Traditional Name: 2-[2-amino-4-(3-bromophenyl)-3-methyl-imidazol-1-ium-1-yl]-1-(1,3-benzodioxol-5-yl)ethanone Formula: C19H17BrN3O3+ MolecularWeight: 415.26058

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C[N+](=C1N)CC(=O)C2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)Br

Isomeric SMILES

CN1C(=C[N+](=C1N)CC(=O)C2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C19H16BrN3O3/c1-22-15(12-3-2-4-14(20)7-12)9-23(19(22)21)10-16(24)13-5-6-17-18(8-13)26-11-25-17/h2-9,21H,10-11H2,1H3/p+1