1-[4-[3-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]imidazol-3-ium-1-yl]phenyl]propan-2-one bromide

Systemtic Name: 1-[4-[3-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]imidazol-3-ium-1-yl]phenyl]propan-2-one bromide Openeye Name: 1-[4-[3-[2-(4-methoxyphenyl)-2-oxo-ethyl]imidazol-3-ium-1-yl]phenyl]propan-2-one bromide CAS Name: 1-[4-[3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-imidazol-3-iumyl]phenyl]-2-propanone bromide IUPAC Name: 1-[4-[3-[2-(4-methoxyphenyl)-2-oxoethyl]imidazol-3-ium-1-yl]phenyl]propan-2-one bromide Traditional Name: 1-[4-[3-[2-keto-2-(4-methoxyphenyl)ethyl]imidazol-3-ium-1-yl]phenyl]acetone bromide Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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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=C(C=C3)OC.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C21H21N2O3.BrH/c1-16(24)13-17-3-7-19(8-4-17)23-12-11-22(15-23)14-21(25)18-5-9-20(26-2)10-6-18;/h3-12,15H,13-14H2,1-2H3;1H/q+1;/p-1