dimethyl-[[2-[[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[2-[[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: [2-[[(3-isobutyl-4-oxo-phthalazine-1-carbonyl)amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: dimethyl-[[2-[[[[3-(2-methylpropyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[2-[[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]methyl]phenyl]methyl]azanium Traditional Name: [2-[[(3-isobutyl-4-keto-phthalazine-1-carbonyl)amino]methyl]benzyl]-dimethyl-ammonium Formula: C23H29N4O2+ MolecularWeight: 393.50196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=CC=C3C[NH+](C)C

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=CC=C3C[NH+](C)C

InChI

InChI=1S/C23H28N4O2/c1-16(2)14-27-23(29)20-12-8-7-11-19(20)21(25-27)22(28)24-13-17-9-5-6-10-18(17)15-26(3)4/h5-12,16H,13-15H2,1-4H3,(H,24,28)/p+1