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

Systemtic Name: methyl-[[4-(methylcarbamoyl)-1-oxidanylidene-phthalazin-2-yl]methyl]-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: methyl-[[4-(methylcarbamoyl)-1-oxo-phthalazin-2-yl]methyl]-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: methyl-[[4-(methylcarbamoyl)-1-oxo-2-phthalazinyl]methyl]-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: methyl-[[4-(methylcarbamoyl)-1-oxophthalazin-2-yl]methyl]-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [1-keto-4-(methylcarbamoyl)phthalazin-2-yl]methyl-methyl-[4-(methylthio)benzyl]ammonium Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2S/c1-21-19(25)18-16-6-4-5-7-17(16)20(26)24(22-18)13-23(2)12-14-8-10-15(27-3)11-9-14/h4-11H,12-13H2,1-3H3,(H,21,25)/p+1