2-(3-methoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)carbonyl-phthalazin-1-one

Systemtic Name: 2-(3-methoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)carbonyl-phthalazin-1-one Openeye Name: 2-(3-methoxyphenyl)-4-(4-methylpiperazin-4-ium-1-carbonyl)phthalazin-1-one CAS Name: 2-(3-methoxyphenyl)-4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-phthalazinone IUPAC Name: 2-(3-methoxyphenyl)-4-(4-methylpiperazin-4-ium-1-carbonyl)phthalazin-1-one Traditional Name: 2-(3-methoxyphenyl)-4-(4-methylpiperazin-4-ium-1-carbonyl)phthalazin-1-one Formula: C21H23N4O3+ MolecularWeight: 379.43232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC(=CC=C4)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC(=CC=C4)OC

InChI

InChI=1S/C21H22N4O3/c1-23-10-12-24(13-11-23)21(27)19-17-8-3-4-9-18(17)20(26)25(22-19)15-6-5-7-16(14-15)28-2/h3-9,14H,10-13H2,1-2H3/p+1