[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl]-trimethyl-azanium bromide

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl]-trimethyl-azanium bromide Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl]-trimethyl-ammonium bromide CAS Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]-trimethylammonium bromide IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]-trimethylazanium bromide Traditional Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl]-trimethyl-ammonium bromide Formula: C14H20BrNO3 MolecularWeight: 330.2175

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(=O)C1=CC2=C(C=C1)OCCCO2.[Br-]

Isomeric SMILES

C[N+](C)(C)CC(=O)C1=CC2=C(C=C1)OCCCO2.[Br-]

InChI

InChI=1S/C14H20NO3.BrH/c1-15(2,3)10-12(16)11-5-6-13-14(9-11)18-8-4-7-17-13;/h5-6,9H,4,7-8,10H2,1-3H3;1H/q+1;/p-1