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

Systemtic Name: 3-[[3-(4-ethoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[3-(4-ethoxyphenyl)-4-oxo-phthalazine-1-carbonyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[[3-(4-ethoxyphenyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[3-(4-ethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]propyl]-methylazanium Traditional Name: benzyl-[3-[(4-keto-3-p-phenetyl-phthalazine-1-carbonyl)amino]propyl]-methyl-ammonium Formula: C28H31N4O3+ MolecularWeight: 471.57074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCCC[NH+](C)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCCC[NH+](C)CC4=CC=CC=C4

InChI

InChI=1S/C28H30N4O3/c1-3-35-23-16-14-22(15-17-23)32-28(34)25-13-8-7-12-24(25)26(30-32)27(33)29-18-9-19-31(2)20-21-10-5-4-6-11-21/h4-8,10-17H,3,9,18-20H2,1-2H3,(H,29,33)/p+1