methyl-[3-[2-(6-oxidanylidene-3-phenyl-pyridazin-1-yl)ethanoylamino]propyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[3-[2-(6-oxidanylidene-3-phenyl-pyridazin-1-yl)ethanoylamino]propyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[3-[[2-(6-oxo-3-phenyl-pyridazin-1-yl)acetyl]amino]propyl]ammonium CAS Name: methyl-[3-[[1-oxo-2-(6-oxo-3-phenyl-1-pyridazinyl)ethyl]amino]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[3-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]propyl]azanium Traditional Name: benzyl-[3-[[2-(6-keto-3-phenyl-pyridazin-1-yl)acetyl]amino]propyl]-methyl-ammonium Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2/c1-26(17-19-9-4-2-5-10-19)16-8-15-24-22(28)18-27-23(29)14-13-21(25-27)20-11-6-3-7-12-20/h2-7,9-14H,8,15-18H2,1H3,(H,24,28)/p+1