6-(6-azanyl-5-methyl-3-phenyl-pyridazin-1-ium-1-yl)hexanoic acid

Systemtic Name: 6-(6-azanyl-5-methyl-3-phenyl-pyridazin-1-ium-1-yl)hexanoic acid Openeye Name: 6-(6-amino-5-methyl-3-phenyl-pyridazin-1-ium-1-yl)hexanoic acid CAS Name: 6-(6-amino-5-methyl-3-phenyl-1-pyridazin-1-iumyl)hexanoic acid IUPAC Name: 6-(6-amino-5-methyl-3-phenylpyridazin-1-ium-1-yl)hexanoic acid Traditional Name: 6-(6-amino-5-methyl-3-phenyl-pyridazin-1-ium-1-yl)hexanoic acid Formula: C17H22N3O2+ MolecularWeight: 300.37548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=N[N+](=C1N)CCCCCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=N[N+](=C1N)CCCCCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C17H21N3O2/c1-13-12-15(14-8-4-2-5-9-14)19-20(17(13)18)11-7-3-6-10-16(21)22/h2,4-5,8-9,12,18H,3,6-7,10-11H2,1H3,(H,21,22)/p+1