[(1S)-2,3-dihydro-1H-inden-1-yl]-methyl-[[4-(methylcarbamoyl)-1-oxidanylidene-phthalazin-2-yl]methyl]azanium

Systemtic Name: [(1S)-2,3-dihydro-1H-inden-1-yl]-methyl-[[4-(methylcarbamoyl)-1-oxidanylidene-phthalazin-2-yl]methyl]azanium Openeye Name: [(1S)-indan-1-yl]-methyl-[[4-(methylcarbamoyl)-1-oxo-phthalazin-2-yl]methyl]ammonium CAS Name: [(1S)-2,3-dihydro-1H-inden-1-yl]-methyl-[[4-(methylcarbamoyl)-1-oxo-2-phthalazinyl]methyl]ammonium IUPAC Name: [(1S)-2,3-dihydro-1H-inden-1-yl]-methyl-[[4-(methylcarbamoyl)-1-oxophthalazin-2-yl]methyl]azanium Traditional Name: [(1S)-indan-1-yl]-[[1-keto-4-(methylcarbamoyl)phthalazin-2-yl]methyl]-methyl-ammonium Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+](C)C3CCC4=CC=CC=C34

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+](C)[C@H]3CCC4=CC=CC=C34

InChI

InChI=1S/C21H22N4O2/c1-22-20(26)19-16-9-5-6-10-17(16)21(27)25(23-19)13-24(2)18-12-11-14-7-3-4-8-15(14)18/h3-10,18H,11-13H2,1-2H3,(H,22,26)/p+1/t18-/m0/s1