2-(2-methoxy-5-methyl-phenyl)-3H-isoindol-2-ium-1-amine bromide

Systemtic Name: 2-(2-methoxy-5-methyl-phenyl)-3H-isoindol-2-ium-1-amine bromide Openeye Name: 2-(2-methoxy-5-methyl-phenyl)-3H-isoindol-2-ium-1-amine bromide CAS Name: 2-(2-methoxy-5-methylphenyl)-3H-isoindol-2-ium-1-amine bromide IUPAC Name: 2-(2-methoxy-5-methylphenyl)-3H-isoindol-2-ium-1-amine bromide Traditional Name: [2-(2-methoxy-5-methyl-phenyl)-3H-isoindol-2-ium-1-yl]amine bromide Formula: C16H17BrN2O MolecularWeight: 333.22298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)[N+]2=C(C3=CC=CC=C3C2)N.[Br-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)[N+]2=C(C3=CC=CC=C3C2)N.[Br-]

InChI

InChI=1S/C16H16N2O.BrH/c1-11-7-8-15(19-2)14(9-11)18-10-12-5-3-4-6-13(12)16(18)17;/h3-9,17H,10H2,1-2H3;1H