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

Systemtic Name: 2-[2-azanyl-3-methyl-4-(3-nitrophenyl)imidazol-1-ium-1-yl]-1-(4-bromophenyl)ethanone Openeye Name: 2-[2-amino-3-methyl-4-(3-nitrophenyl)imidazol-1-ium-1-yl]-1-(4-bromophenyl)ethanone CAS Name: 2-[2-amino-3-methyl-4-(3-nitrophenyl)-1-imidazol-1-iumyl]-1-(4-bromophenyl)ethanone IUPAC Name: 2-[2-amino-3-methyl-4-(3-nitrophenyl)imidazol-1-ium-1-yl]-1-(4-bromophenyl)ethanone Traditional Name: 2-[2-amino-3-methyl-4-(3-nitrophenyl)imidazol-1-ium-1-yl]-1-(4-bromophenyl)ethanone Formula: C18H16BrN4O3+ MolecularWeight: 416.24864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN4O3/c1-21-16(13-3-2-4-15(9-13)23(25)26)10-22(18(21)20)11-17(24)12-5-7-14(19)8-6-12/h2-10,20H,11H2,1H3/p+1