methyl-[3-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]propyl]-(phenylmethyl)azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)CC1=NNC(=O)C2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCCNC(=O)CC1=NNC(=O)C2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2/c1-25(15-16-8-3-2-4-9-16)13-7-12-22-20(26)14-19-17-10-5-6-11-18(17)21(27)24-23-19/h2-6,8-11H,7,12-15H2,1H3,(H,22,26)(H,24,27)/p+1