1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)pyridin-1-ium bromide

Systemtic Name: 1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)pyridin-1-ium bromide Openeye Name: 1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)pyridin-1-ium bromide CAS Name: 1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)pyridin-1-ium bromide IUPAC Name: 1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)pyridin-1-ium bromide Traditional Name: 1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)pyridin-1-ium bromide Formula: C15H16BrNO2 MolecularWeight: 322.19704

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2COC(O1)C[N+]3=CC=CC=C3.[Br-]

Isomeric SMILES

C1C2=CC=CC=C2COC(O1)C[N+]3=CC=CC=C3.[Br-]

InChI

InChI=1S/C15H16NO2.BrH/c1-4-8-16(9-5-1)10-15-17-11-13-6-2-3-7-14(13)12-18-15;/h1-9,15H,10-12H2;1H/q+1;/p-1