2-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-phthalazin-1-one

Systemtic Name: 2-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-phthalazin-1-one CAS Name: 2-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]-4-methylphthalazin-1-one Traditional Name: 2-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-phthalazin-1-one Formula: C21H24ClN4O+ MolecularWeight: 383.89446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C

InChI

InChI=1S/C21H23ClN4O/c1-15-7-8-17(22)13-20(15)25-11-9-24(10-12-25)14-26-21(27)19-6-4-3-5-18(19)16(2)23-26/h3-8,13H,9-12,14H2,1-2H3/p+1