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

Systemtic Name: 3-[[3-(4-methoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[3-(4-methoxyphenyl)-4-oxo-phthalazine-1-carbonyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[[3-(4-methoxyphenyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[3-(4-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]propyl]-methylazanium Traditional Name: benzyl-[3-[[4-keto-3-(4-methoxyphenyl)phthalazine-1-carbonyl]amino]propyl]-methyl-ammonium Formula: C27H29N4O3+ MolecularWeight: 457.54416

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CCCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC)CC4=CC=CC=C4

InChI

InChI=1S/C27H28N4O3/c1-30(19-20-9-4-3-5-10-20)18-8-17-28-26(32)25-23-11-6-7-12-24(23)27(33)31(29-25)21-13-15-22(34-2)16-14-21/h3-7,9-16H,8,17-19H2,1-2H3,(H,28,32)/p+1