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

Systemtic Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxidanylidene-propyl]-trimethyl-azanium bromide Openeye Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxo-propyl]-trimethyl-ammonium bromide CAS Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxopropyl]-trimethylammonium bromide IUPAC Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxopropyl]-trimethylazanium bromide Traditional Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-keto-propyl]-trimethyl-ammonium bromide Formula: C15H22BrNO3 MolecularWeight: 344.24408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22NO3.BrH/c1-16(2,3)8-7-13(17)12-5-6-14-15(11-12)19-10-4-9-18-14;/h5-6,11H,4,7-10H2,1-3H3;1H/q+1;/p-1