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

Systemtic Name: 3-[[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[[4-[(3-chlorophenyl)methyl]-1-piperazin-1-iumyl]methyl]-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-[[4-(3-chlorobenzyl)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:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+]3CCN(CC3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+]3CCN(CC3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H24ClN5O2/c1-24-21(29)20-18-7-2-3-8-19(18)22(30)28(25-20)15-27-11-9-26(10-12-27)14-16-5-4-6-17(23)13-16/h2-8,13H,9-12,14-15H2,1H3,(H,24,29)/p+1