2-[(E)-6-(dimethylamino)-1-(4-methoxyphenyl)hex-1-en-3-yl]-2H-phthalazin-2-ium-1-one bromide

Systemtic Name: 2-[(E)-6-(dimethylamino)-1-(4-methoxyphenyl)hex-1-en-3-yl]-2H-phthalazin-2-ium-1-one bromide Openeye Name: 2-[4-(dimethylamino)-1-[(E)-2-(4-methoxyphenyl)vinyl]butyl]-2H-phthalazin-2-ium-1-one bromide CAS Name: 2-[(E)-6-(dimethylamino)-1-(4-methoxyphenyl)hex-1-en-3-yl]-2H-phthalazin-2-ium-1-one bromide IUPAC Name: 2-[(E)-6-(dimethylamino)-1-(4-methoxyphenyl)hex-1-en-3-yl]-2H-phthalazin-2-ium-1-one bromide Traditional Name: 2-[(E)-1-[3-(dimethylamino)propyl]-3-(4-methoxyphenyl)allyl]-2H-phthalazin-2-ium-1-one bromide Formula: C23H28BrN3O2 MolecularWeight: 458.39132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC(C=CC1=CC=C(C=C1)OC)[NH+]2C(=O)C3=CC=CC=C3C=N2.[Br-]

Isomeric SMILES

CN(C)CCCC(/C=C/C1=CC=C(C=C1)OC)[NH+]2C(=O)C3=CC=CC=C3C=N2.[Br-]

InChI

InChI=1S/C23H27N3O2.BrH/c1-25(2)16-6-8-20(13-10-18-11-14-21(28-3)15-12-18)26-23(27)22-9-5-4-7-19(22)17-24-26;/h4-5,7,9-15,17,20H,6,8,16H2,1-3H3;1H/b13-10+;