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

Systemtic Name: 2-[2-azanyl-4-(3,4-dimethylphenyl)-3-methyl-imidazol-1-ium-1-yl]-1-(3-bromophenyl)ethanone Openeye Name: 2-[2-amino-4-(3,4-dimethylphenyl)-3-methyl-imidazol-1-ium-1-yl]-1-(3-bromophenyl)ethanone CAS Name: 2-[2-amino-4-(3,4-dimethylphenyl)-3-methyl-1-imidazol-1-iumyl]-1-(3-bromophenyl)ethanone IUPAC Name: 2-[2-amino-4-(3,4-dimethylphenyl)-3-methylimidazol-1-ium-1-yl]-1-(3-bromophenyl)ethanone Traditional Name: 2-[2-amino-4-(3,4-dimethylphenyl)-3-methyl-imidazol-1-ium-1-yl]-1-(3-bromophenyl)ethanone Formula: C20H21BrN3O+ MolecularWeight: 399.30424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C[N+](=C(N2C)N)CC(=O)C3=CC(=CC=C3)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C[N+](=C(N2C)N)CC(=O)C3=CC(=CC=C3)Br)C

InChI

InChI=1S/C20H20BrN3O/c1-13-7-8-15(9-14(13)2)18-11-24(20(22)23(18)3)12-19(25)16-5-4-6-17(21)10-16/h4-11,22H,12H2,1-3H3/p+1