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

Systemtic Name: 4-[6-azanyl-3-phenyl-5-(3-phenylpropyl)pyridazin-1-ium-1-yl]butanoic acid bromide Openeye Name: 4-[6-amino-3-phenyl-5-(3-phenylpropyl)pyridazin-1-ium-1-yl]butanoic acid bromide CAS Name: 4-[6-amino-3-phenyl-5-(3-phenylpropyl)-1-pyridazin-1-iumyl]butanoic acid bromide IUPAC Name: 4-[6-amino-3-phenyl-5-(3-phenylpropyl)pyridazin-1-ium-1-yl]butanoic acid bromide Traditional Name: 4-[6-amino-3-phenyl-5-(3-phenylpropyl)pyridazin-1-ium-1-yl]butyric acid bromide Formula: C23H26BrN3O2 MolecularWeight: 456.37544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O2.BrH/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);1H