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

Systemtic Name: 3-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-N-methyl-phthalazine-1-carboxamide Formula: C22H26N5O3+ MolecularWeight: 408.47354

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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=C4OC

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C22H25N5O3/c1-23-21(28)20-16-7-3-4-8-17(16)22(29)27(24-20)15-25-11-13-26(14-12-25)18-9-5-6-10-19(18)30-2/h3-10H,11-15H2,1-2H3,(H,23,28)/p+1