3-ethylnonan-3-yl-[1-[(3-oxidanylidene-1-benzofuran-6-yl)oxy]propyl]azanium bromide

Systemtic Name: 3-ethylnonan-3-yl-[1-[(3-oxidanylidene-1-benzofuran-6-yl)oxy]propyl]azanium bromide Openeye Name: 1,1-diethylheptyl-[1-(3-oxobenzofuran-6-yl)oxypropyl]ammonium bromide CAS Name: 3-ethylnonan-3-yl-[1-[(3-oxo-6-benzofuranyl)oxy]propyl]ammonium bromide IUPAC Name: 3-ethylnonan-3-yl-[1-[(3-oxo-1-benzofuran-6-yl)oxy]propyl]azanium bromide Traditional Name: 1,1-diethylheptyl-[1-(3-ketocoumaran-6-yl)oxypropyl]ammonium bromide Formula: C22H36BrNO3 MolecularWeight: 442.43014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC)(CC)[NH2+]C(CC)OC1=CC2=C(C=C1)C(=O)CO2.[Br-]

Isomeric SMILES

CCCCCCC(CC)(CC)[NH2+]C(CC)OC1=CC2=C(C=C1)C(=O)CO2.[Br-]

InChI

InChI=1S/C22H35NO3.BrH/c1-5-9-10-11-14-22(7-3,8-4)23-21(6-2)26-17-12-13-18-19(24)16-25-20(18)15-17;/h12-13,15,21,23H,5-11,14,16H2,1-4H3;1H