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

Systemtic Name: 3-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[[4-(2-chlorophenyl)-1-piperazin-1-iumyl]methyl]-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C21H23ClN5O2+ MolecularWeight: 412.89262

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+]3CCN(CC3)C4=CC=CC=C4Cl

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+]3CCN(CC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H22ClN5O2/c1-23-20(28)19-15-6-2-3-7-16(15)21(29)27(24-19)14-25-10-12-26(13-11-25)18-9-5-4-8-17(18)22/h2-9H,10-14H2,1H3,(H,23,28)/p+1