2-(3-azanyl-1H-isoindol-2-ium-2-yl)-1-(4-methylphenyl)-2-phenyl-ethanone bromide

Systemtic Name: 2-(3-azanyl-1H-isoindol-2-ium-2-yl)-1-(4-methylphenyl)-2-phenyl-ethanone bromide Openeye Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-2-phenyl-1-(p-tolyl)ethanone bromide CAS Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(4-methylphenyl)-2-phenylethanone bromide IUPAC Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(4-methylphenyl)-2-phenylethanone bromide Traditional Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-2-phenyl-1-(p-tolyl)ethanone bromide Formula: C23H21BrN2O MolecularWeight: 421.32964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)[N+]3=C(C4=CC=CC=C4C3)N.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)[N+]3=C(C4=CC=CC=C4C3)N.[Br-]

InChI

InChI=1S/C23H20N2O.BrH/c1-16-11-13-18(14-12-16)22(26)21(17-7-3-2-4-8-17)25-15-19-9-5-6-10-20(19)23(25)24;/h2-14,21,24H,15H2,1H3;1H