2-[[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one

Systemtic Name: 2-[[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-(2-methyl-1-oxo-2-phenylpropyl)-1-piperazin-1-iumyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(2-methyl-2-phenylpropanoyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C(=O)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C(=O)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C=N3

InChI

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