dimethyl-[3-[[4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)phenyl]carbonylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)phenyl]carbonylamino]propyl]azanium Openeye Name: dimethyl-[3-[[4-(3-methyl-4-oxo-phthalazin-1-yl)benzoyl]amino]propyl]ammonium CAS Name: dimethyl-[3-[[[4-(3-methyl-4-oxo-1-phthalazinyl)phenyl]-oxomethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[4-(3-methyl-4-oxophthalazin-1-yl)benzoyl]amino]propyl]azanium Traditional Name: 3-[[4-(4-keto-3-methyl-phthalazin-1-yl)benzoyl]amino]propyl-dimethyl-ammonium Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C(=O)NCCC[NH+](C)C

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C(=O)NCCC[NH+](C)C

InChI

InChI=1S/C21H24N4O2/c1-24(2)14-6-13-22-20(26)16-11-9-15(10-12-16)19-17-7-4-5-8-18(17)21(27)25(3)23-19/h4-5,7-12H,6,13-14H2,1-3H3,(H,22,26)/p+1