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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCNC(=O)CCN1C(=O)C=CC(=N1)C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCNC(=O)CCN1C(=O)C=CC(=N1)C2=CC=CC=C2)CC3=CC=CC=C3

InChI

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