4-[6-azanyl-5-methyl-3-(4-methylphenyl)pyridazin-1-ium-1-yl]butanoic acid

Systemtic Name: 4-[6-azanyl-5-methyl-3-(4-methylphenyl)pyridazin-1-ium-1-yl]butanoic acid Openeye Name: 4-[6-amino-5-methyl-3-(p-tolyl)pyridazin-1-ium-1-yl]butanoic acid CAS Name: 4-[6-amino-5-methyl-3-(4-methylphenyl)-1-pyridazin-1-iumyl]butanoic acid IUPAC Name: 4-[6-amino-5-methyl-3-(4-methylphenyl)pyridazin-1-ium-1-yl]butanoic acid Traditional Name: 4-[6-amino-5-methyl-3-(p-tolyl)pyridazin-1-ium-1-yl]butyric acid Formula: C16H20N3O2+ MolecularWeight: 286.3489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=N[N+](=C(C(=C2)C)N)CCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=N[N+](=C(C(=C2)C)N)CCCC(=O)O

InChI

InChI=1S/C16H19N3O2/c1-11-5-7-13(8-6-11)14-10-12(2)16(17)19(18-14)9-3-4-15(20)21/h5-8,10,17H,3-4,9H2,1-2H3,(H,20,21)/p+1