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

Systemtic Name: 2-(4-chloranylphenoxy)ethyl-methyl-[[4-(methylcarbamoyl)-1-oxidanylidene-phthalazin-2-yl]methyl]azanium Openeye Name: 2-(4-chlorophenoxy)ethyl-methyl-[[4-(methylcarbamoyl)-1-oxo-phthalazin-2-yl]methyl]ammonium CAS Name: 2-(4-chlorophenoxy)ethyl-methyl-[[4-(methylcarbamoyl)-1-oxo-2-phthalazinyl]methyl]ammonium IUPAC Name: 2-(4-chlorophenoxy)ethyl-methyl-[[4-(methylcarbamoyl)-1-oxophthalazin-2-yl]methyl]azanium Traditional Name: 2-(4-chlorophenoxy)ethyl-[[1-keto-4-(methylcarbamoyl)phthalazin-2-yl]methyl]-methyl-ammonium Formula: C20H22ClN4O3+ MolecularWeight: 401.86668

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+](C)CCOC3=CC=C(C=C3)Cl

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+](C)CCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN4O3/c1-22-19(26)18-16-5-3-4-6-17(16)20(27)25(23-18)13-24(2)11-12-28-15-9-7-14(21)8-10-15/h3-10H,11-13H2,1-2H3,(H,22,26)/p+1