[(1R)-1-(4-ethylphenyl)-2-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-1-(4-ethylphenyl)-2-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-(4-ethylphenyl)-2-[(4-oxo-3H-phthalazine-1-carbonyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-(4-ethylphenyl)-2-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-(4-ethylphenyl)-2-[(4-oxo-3H-phthalazine-1-carbonyl)amino]ethyl]-dimethylazanium Traditional Name: [(1R)-1-(4-ethylphenyl)-2-[(4-keto-3H-phthalazine-1-carbonyl)amino]ethyl]-dimethyl-ammonium Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNC(=O)C2=NNC(=O)C3=CC=CC=C32)[NH+](C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](CNC(=O)C2=NNC(=O)C3=CC=CC=C32)[NH+](C)C

InChI

InChI=1S/C21H24N4O2/c1-4-14-9-11-15(12-10-14)18(25(2)3)13-22-21(27)19-16-7-5-6-8-17(16)20(26)24-23-19/h5-12,18H,4,13H2,1-3H3,(H,22,27)(H,24,26)/p+1/t18-/m0/s1