(4-methoxycarbonylphenyl)methyl-methyl-[[4-(methylcarbamoyl)-1-oxidanylidene-phthalazin-2-yl]methyl]azanium

Systemtic Name: (4-methoxycarbonylphenyl)methyl-methyl-[[4-(methylcarbamoyl)-1-oxidanylidene-phthalazin-2-yl]methyl]azanium Openeye Name: (4-methoxycarbonylphenyl)methyl-methyl-[[4-(methylcarbamoyl)-1-oxo-phthalazin-2-yl]methyl]ammonium CAS Name: (4-methoxycarbonylphenyl)methyl-methyl-[[4-(methylcarbamoyl)-1-oxo-2-phthalazinyl]methyl]ammonium IUPAC Name: (4-methoxycarbonylphenyl)methyl-methyl-[[4-(methylcarbamoyl)-1-oxophthalazin-2-yl]methyl]azanium Traditional Name: (4-carbomethoxybenzyl)-[[1-keto-4-(methylcarbamoyl)phthalazin-2-yl]methyl]-methyl-ammonium Formula: C21H23N4O4+ MolecularWeight: 395.43172

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+](C)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+](C)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H22N4O4/c1-22-19(26)18-16-6-4-5-7-17(16)20(27)25(23-18)13-24(2)12-14-8-10-15(11-9-14)21(28)29-3/h4-11H,12-13H2,1-3H3,(H,22,26)/p+1