2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[[4-(methylcarbamoyl)-1-oxidanylidene-phthalazin-2-yl]methyl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[[4-(methylcarbamoyl)-1-oxidanylidene-phthalazin-2-yl]methyl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[[4-(methylcarbamoyl)-1-oxo-phthalazin-2-yl]methyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[[4-(methylcarbamoyl)-1-oxo-2-phthalazinyl]methyl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[[4-(methylcarbamoyl)-1-oxophthalazin-2-yl]methyl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[[1-keto-4-(methylcarbamoyl)phthalazin-2-yl]methyl]-methyl-ammonium Formula: C21H23N4O4+ MolecularWeight: 395.43172

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+](C)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+](C)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H22N4O4/c1-22-20(26)19-15-5-3-4-6-16(15)21(27)25(23-19)13-24(2)12-14-7-8-17-18(11-14)29-10-9-28-17/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,26)/p+1