3-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C22H25ClN5O2+ MolecularWeight: 426.9192

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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(=O)NC

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN5O2/c1-15-7-8-16(23)13-19(15)27-11-9-26(10-12-27)14-28-22(30)18-6-4-3-5-17(18)20(25-28)21(29)24-2/h3-8,13H,9-12,14H2,1-2H3,(H,24,29)/p+1