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

Systemtic Name: dimethyl-[(2S)-1-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(2S)-1-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: dimethyl-[(2S)-1-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]ethyl]-dimethyl-ammonium Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CC1=CC=CC=C1)CNC(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C[NH+](C)[C@@H](CC1=CC=CC=C1)CNC(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H24N4O2/c1-25(2)16(12-15-8-4-3-5-9-15)14-22-20(26)13-19-17-10-6-7-11-18(17)21(27)24-23-19/h3-11,16H,12-14H2,1-2H3,(H,22,26)(H,24,27)/p+1/t16-/m0/s1