methyl-[3-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]propyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[3-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]propyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[3-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]propyl]ammonium CAS Name: methyl-[3-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[3-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]propyl]azanium Traditional Name: benzyl-[3-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]propyl]-methyl-ammonium Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC[NH+](C)CC3=CC=CC=C3

InChI

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