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

Systemtic Name: [(1S)-2-[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(3-ethyl-4-oxo-phthalazine-1-carbonyl)amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(3-ethyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(3-ethyl-4-keto-phthalazine-1-carbonyl)amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CC=C3)[NH+](C)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC[C@H](C3=CC=CC=C3)[NH+](C)C

InChI

InChI=1S/C21H24N4O2/c1-4-25-21(27)17-13-9-8-12-16(17)19(23-25)20(26)22-14-18(24(2)3)15-10-6-5-7-11-15/h5-13,18H,4,14H2,1-3H3,(H,22,26)/p+1/t18-/m1/s1