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

Systemtic Name: 4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[oxo-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(4-isopropylbenzyl)piperazin-4-ium-1-carbonyl]-2H-phthalazin-1-one Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2/c1-16(2)18-9-7-17(8-10-18)15-26-11-13-27(14-12-26)23(29)21-19-5-3-4-6-20(19)22(28)25-24-21/h3-10,16H,11-15H2,1-2H3,(H,25,28)/p+1