2-methyl-4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-methyl-4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-methyl-4-[4-(m-tolylmethyl)piperazin-4-ium-1-carbonyl]phthalazin-1-one CAS Name: 2-methyl-4-[[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]phthalazin-1-one Traditional Name: 2-methyl-4-[4-(3-methylbenzyl)piperazin-4-ium-1-carbonyl]phthalazin-1-one Formula: C22H25N4O2+ MolecularWeight: 377.4595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C22H24N4O2/c1-16-6-5-7-17(14-16)15-25-10-12-26(13-11-25)22(28)20-18-8-3-4-9-19(18)21(27)24(2)23-20/h3-9,14H,10-13,15H2,1-2H3/p+1