1-[4-(3-phenacylimidazol-3-ium-1-yl)phenyl]propan-2-one bromide

Systemtic Name: 1-[4-(3-phenacylimidazol-3-ium-1-yl)phenyl]propan-2-one bromide Openeye Name: 1-[4-(3-phenacylimidazol-3-ium-1-yl)phenyl]propan-2-one bromide CAS Name: 1-[4-(3-phenacyl-1-imidazol-3-iumyl)phenyl]-2-propanone bromide IUPAC Name: 1-[4-(3-phenacylimidazol-3-ium-1-yl)phenyl]propan-2-one bromide Traditional Name: 1-[4-(3-phenacylimidazol-3-ium-1-yl)phenyl]acetone bromide Formula: C20H19BrN2O2 MolecularWeight: 399.28106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N2O2.BrH/c1-16(23)13-17-7-9-19(10-8-17)22-12-11-21(15-22)14-20(24)18-5-3-2-4-6-18;/h2-12,15H,13-14H2,1H3;1H/q+1;/p-1