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

Systemtic Name: 4-[6-azanyl-3-phenyl-5-(3-phenylpropyl)pyridazin-1-ium-1-yl]butanoic acid Openeye Name: 4-[6-amino-3-phenyl-5-(3-phenylpropyl)pyridazin-1-ium-1-yl]butanoic acid CAS Name: 4-[6-amino-3-phenyl-5-(3-phenylpropyl)-1-pyridazin-1-iumyl]butanoic acid IUPAC Name: 4-[6-amino-3-phenyl-5-(3-phenylpropyl)pyridazin-1-ium-1-yl]butanoic acid Traditional Name: 4-[6-amino-3-phenyl-5-(3-phenylpropyl)pyridazin-1-ium-1-yl]butyric acid Formula: C23H26N3O2+ MolecularWeight: 376.47144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC2=CC(=N[N+](=C2N)CCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCC2=CC(=N[N+](=C2N)CCCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O2/c24-23-20(14-7-11-18-9-3-1-4-10-18)17-21(19-12-5-2-6-13-19)25-26(23)16-8-15-22(27)28/h1-6,9-10,12-13,17,24H,7-8,11,14-16H2,(H,27,28)/p+1