[2-(4-hexyl-2-methyl-5-oxidanylidene-oxolan-2-yl)-2-oxidanylidene-ethyl]-pyridin-2-yl-azanium bromide

Systemtic Name: [2-(4-hexyl-2-methyl-5-oxidanylidene-oxolan-2-yl)-2-oxidanylidene-ethyl]-pyridin-2-yl-azanium bromide Openeye Name: [2-(4-hexyl-2-methyl-5-oxo-tetrahydrofuran-2-yl)-2-oxo-ethyl]-(2-pyridyl)ammonium bromide CAS Name: [2-(4-hexyl-2-methyl-5-oxo-2-oxolanyl)-2-oxoethyl]-(2-pyridinyl)ammonium bromide IUPAC Name: [2-(4-hexyl-2-methyl-5-oxooxolan-2-yl)-2-oxoethyl]-pyridin-2-ylazanium bromide Traditional Name: [2-(4-hexyl-5-keto-2-methyl-tetrahydrofuran-2-yl)-2-keto-ethyl]-(2-pyridyl)ammonium bromide Formula: C18H27BrN2O3 MolecularWeight: 399.32258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(OC1=O)(C)C(=O)C[NH2+]C2=CC=CC=N2.[Br-]

Isomeric SMILES

CCCCCCC1CC(OC1=O)(C)C(=O)C[NH2+]C2=CC=CC=N2.[Br-]

InChI

InChI=1S/C18H26N2O3.BrH/c1-3-4-5-6-9-14-12-18(2,23-17(14)22)15(21)13-20-16-10-7-8-11-19-16;/h7-8,10-11,14H,3-6,9,12-13H2,1-2H3,(H,19,20);1H