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

Systemtic Name: 2-(4-ethoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)carbonyl-phthalazin-1-one Openeye Name: 2-(4-ethoxyphenyl)-4-(4-methylpiperazin-4-ium-1-carbonyl)phthalazin-1-one CAS Name: 2-(4-ethoxyphenyl)-4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-phthalazinone IUPAC Name: 2-(4-ethoxyphenyl)-4-(4-methylpiperazin-4-ium-1-carbonyl)phthalazin-1-one Traditional Name: 4-(4-methylpiperazin-4-ium-1-carbonyl)-2-p-phenetyl-phthalazin-1-one Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H24N4O3/c1-3-29-17-10-8-16(9-11-17)26-21(27)19-7-5-4-6-18(19)20(23-26)22(28)25-14-12-24(2)13-15-25/h4-11H,3,12-15H2,1-2H3/p+1