14-methyl-8-oxa-12-thia-1-azoniabicyclo[9.2.1]tetradeca-1(13),11(14)-dien-7-one bromide

Systemtic Name: 14-methyl-8-oxa-12-thia-1-azoniabicyclo[9.2.1]tetradeca-1(13),11(14)-dien-7-one bromide Openeye Name: 14-methyl-8-oxa-12-thia-1-azoniabicyclo[9.2.1]tetradeca-1(13),11(14)-dien-7-one bromide CAS Name: 14-methyl-8-oxa-12-thia-1-azoniabicyclo[9.2.1]tetradeca-1(13),11(14)-dien-7-one bromide IUPAC Name: 14-methyl-8-oxa-12-thia-1-azoniabicyclo[9.2.1]tetradeca-1(13),11(14)-dien-7-one bromide Traditional Name: 14-methyl-8-oxa-12-thia-1-azoniabicyclo[9.2.1]tetradeca-1(13),11(14)-dien-7-one bromide Formula: C12H18BrNO2S MolecularWeight: 320.24582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCOC(=O)CCCCC[N+]1=CS2.[Br-]

Isomeric SMILES

CC1=C2CCOC(=O)CCCCC[N+]1=CS2.[Br-]

InChI

InChI=1S/C12H18NO2S.BrH/c1-10-11-6-8-15-12(14)5-3-2-4-7-13(10)9-16-11;/h9H,2-8H2,1H3;1H/q+1;/p-1