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

Systemtic Name: dimethyl-[(2S)-2-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]-2-phenyl-ethyl]azanium Openeye Name: dimethyl-[(2S)-2-[[2-(3-methyl-4-oxo-phthalazin-1-yl)acetyl]amino]-2-phenyl-ethyl]ammonium CAS Name: dimethyl-[(2S)-2-[[2-(3-methyl-4-oxo-1-phthalazinyl)-1-oxoethyl]amino]-2-phenylethyl]ammonium IUPAC Name: dimethyl-[(2S)-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-2-phenylethyl]azanium Traditional Name: [(2S)-2-[[2-(4-keto-3-methyl-phthalazin-1-yl)acetyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2/c1-24(2)14-19(15-9-5-4-6-10-15)22-20(26)13-18-16-11-7-8-12-17(16)21(27)25(3)23-18/h4-12,19H,13-14H2,1-3H3,(H,22,26)/p+1/t19-/m1/s1