1-(3,4-dimethylphenyl)-4-(4-methylpiperazin-1-yl)phthalazin-3-ium

Systemtic Name: 1-(3,4-dimethylphenyl)-4-(4-methylpiperazin-1-yl)phthalazin-3-ium Openeye Name: 1-(3,4-dimethylphenyl)-4-(4-methylpiperazin-1-yl)phthalazin-3-ium CAS Name: 1-(3,4-dimethylphenyl)-4-(4-methyl-1-piperazinyl)phthalazin-3-ium IUPAC Name: 1-(3,4-dimethylphenyl)-4-(4-methylpiperazin-1-yl)phthalazin-3-ium Traditional Name: 1-(3,4-dimethylphenyl)-4-(4-methylpiperazino)phthalazin-3-ium Formula: C21H25N4+ MolecularWeight: 333.45

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=N[NH+]=C(C3=CC=CC=C32)N4CCN(CC4)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=N[NH+]=C(C3=CC=CC=C32)N4CCN(CC4)C)C

InChI

InChI=1S/C21H24N4/c1-15-8-9-17(14-16(15)2)20-18-6-4-5-7-19(18)21(23-22-20)25-12-10-24(3)11-13-25/h4-9,14H,10-13H2,1-3H3/p+1