4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2H-phthalazin-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H22N4O3/c1-28-16-8-6-15(7-9-16)14-24-10-12-25(13-11-24)21(27)19-17-4-2-3-5-18(17)20(26)23-22-19/h2-9H,10-14H2,1H3,(H,23,26)/p+1