[2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-2-oxidanylidene-1-pyridin-2-yl-ethyl]azanium bromide

Systemtic Name: [2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-2-oxidanylidene-1-pyridin-2-yl-ethyl]azanium bromide Openeye Name: [2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-2-oxo-1-(2-pyridyl)ethyl]ammonium bromide CAS Name: [2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-2-oxo-1-(2-pyridinyl)ethyl]ammonium bromide IUPAC Name: [2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-2-oxo-1-pyridin-2-ylethyl]azanium bromide Traditional Name: [2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-2-keto-1-(2-pyridyl)ethyl]ammonium bromide Formula: C17H25BrN2O2 MolecularWeight: 369.2966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCOC(=O)C(C1=CC=CC=N1)[NH3+])C)C.[Br-]

Isomeric SMILES

CC(=CCC/C(=C\COC(=O)C(C1=CC=CC=N1)[NH3+])/C)C.[Br-]

InChI

InChI=1S/C17H24N2O2.BrH/c1-13(2)7-6-8-14(3)10-12-21-17(20)16(18)15-9-4-5-11-19-15;/h4-5,7,9-11,16H,6,8,12,18H2,1-3H3;1H/b14-10-;