1-(4-methoxyphenyl)-2-(1,10-phenanthrolin-1-ium-1-yl)propan-1-one bromide

Systemtic Name: 1-(4-methoxyphenyl)-2-(1,10-phenanthrolin-1-ium-1-yl)propan-1-one bromide Openeye Name: 1-(4-methoxyphenyl)-2-(1,10-phenanthrolin-1-ium-1-yl)propan-1-one bromide CAS Name: 1-(4-methoxyphenyl)-2-(1,10-phenanthrolin-1-ium-1-yl)-1-propanone bromide IUPAC Name: 1-(4-methoxyphenyl)-2-(1,10-phenanthrolin-1-ium-1-yl)propan-1-one bromide Traditional Name: 1-(4-methoxyphenyl)-2-(1,10-phenanthrolin-1-ium-1-yl)propan-1-one bromide Formula: C22H19BrN2O2 MolecularWeight: 423.30246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)OC)[N+]2=CC=CC3=C2C4=C(C=CC=N4)C=C3.[Br-]

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)OC)[N+]2=CC=CC3=C2C4=C(C=CC=N4)C=C3.[Br-]

InChI

InChI=1S/C22H19N2O2.BrH/c1-15(22(25)18-9-11-19(26-2)12-10-18)24-14-4-6-17-8-7-16-5-3-13-23-20(16)21(17)24;/h3-15H,1-2H3;1H/q+1;/p-1