[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-dimethyl-phenyl-azanium bromide

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-dimethyl-phenyl-azanium bromide Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]-dimethyl-phenyl-ammonium bromide CAS Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-dimethyl-phenylammonium bromide IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-dimethyl-phenylazanium bromide Traditional Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]-dimethyl-phenyl-ammonium bromide Formula: C18H20BrNO3 MolecularWeight: 378.2603

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC(=O)C1=CC2=C(C=C1)OCCO2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

C[N+](C)(CC(=O)C1=CC2=C(C=C1)OCCO2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C18H20NO3.BrH/c1-19(2,15-6-4-3-5-7-15)13-16(20)14-8-9-17-18(12-14)22-11-10-21-17;/h3-9,12H,10-11,13H2,1-2H3;1H/q+1;/p-1