[3-(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-oxidanylidene-propyl]-dimethyl-azanium chloride

Systemtic Name: [3-(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-oxidanylidene-propyl]-dimethyl-azanium chloride Openeye Name: [3-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-oxo-propyl]-dimethyl-ammonium chloride CAS Name: [3-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-oxopropyl]-dimethylammonium chloride IUPAC Name: [3-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-oxopropyl]-dimethylazanium chloride Traditional Name: [3-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-keto-propyl]-dimethyl-ammonium chloride Formula: C14H19BrClNO3 MolecularWeight: 364.66256

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC(=O)C1=CC2=C(C=C1Br)OCCCO2.[Cl-]

Isomeric SMILES

C[NH+](C)CCC(=O)C1=CC2=C(C=C1Br)OCCCO2.[Cl-]

InChI

InChI=1S/C14H18BrNO3.ClH/c1-16(2)5-4-12(17)10-8-13-14(9-11(10)15)19-7-3-6-18-13;/h8-9H,3-7H2,1-2H3;1H