[(1S)-1-(2-methoxyphenyl)-2-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(2-methoxyphenyl)-2-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(2-methoxyphenyl)-2-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(2-methoxyphenyl)-2-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(2-methoxyphenyl)-2-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]-1-(2-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CC=C3OC)[NH+](C)C

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC[C@H](C3=CC=CC=C3OC)[NH+](C)C

InChI

InChI=1S/C21H24N4O3/c1-24(2)17(16-11-7-8-12-18(16)28-4)13-22-20(26)19-14-9-5-6-10-15(14)21(27)25(3)23-19/h5-12,17H,13H2,1-4H3,(H,22,26)/p+1/t17-/m1/s1