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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C[N+](=C1N)CC(=O)C2=CC=C(C=C2)Br)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C(=C[N+](=C1N)CC(=O)C2=CC=C(C=C2)Br)C3=CC4=C(C=C3)OCO4

InChI

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