2-methyl-4-[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]phthalazin-1-one

Systemtic Name: 2-methyl-4-[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]phthalazin-1-one Openeye Name: 2-methyl-4-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]phthalazin-1-one CAS Name: 2-methyl-4-[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]phthalazin-1-one Traditional Name: 2-methyl-4-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]phthalazin-1-one Formula: C21H23N4O2+ MolecularWeight: 363.43292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C21H22N4O2/c1-23-11-13-25(14-12-23)20(26)16-9-7-15(8-10-16)19-17-5-3-4-6-18(17)21(27)24(2)22-19/h3-10H,11-14H2,1-2H3/p+1