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

Systemtic Name: methyl-[[4-(methylcarbamoyl)-1-oxidanylidene-phthalazin-2-yl]methyl]-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-methyl-[[4-(methylcarbamoyl)-1-oxo-phthalazin-2-yl]methyl]ammonium CAS Name: methyl-[[4-(methylcarbamoyl)-1-oxo-2-phthalazinyl]methyl]-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: methyl-[[4-(methylcarbamoyl)-1-oxophthalazin-2-yl]methyl]-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[[1-keto-4-(methylcarbamoyl)phthalazin-2-yl]methyl]-methyl-ammonium Formula: C22H25N4O3+ MolecularWeight: 393.4589

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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)OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3/c1-4-13-29-17-11-9-16(10-12-17)14-25(3)15-26-22(28)19-8-6-5-7-18(19)20(24-26)21(27)23-2/h4-12H,1,13-15H2,2-3H3,(H,23,27)/p+1