13-methyl-7-oxa-11-thia-1-azoniabicyclo[8.2.1]trideca-1(12),10(13)-dien-6-one bromide

Systemtic Name: 13-methyl-7-oxa-11-thia-1-azoniabicyclo[8.2.1]trideca-1(12),10(13)-dien-6-one bromide Openeye Name: 13-methyl-7-oxa-11-thia-1-azoniabicyclo[8.2.1]trideca-1(12),10(13)-dien-6-one bromide CAS Name: 13-methyl-7-oxa-11-thia-1-azoniabicyclo[8.2.1]trideca-1(12),10(13)-dien-6-one bromide IUPAC Name: 13-methyl-7-oxa-11-thia-1-azoniabicyclo[8.2.1]trideca-1(12),10(13)-dien-6-one bromide Traditional Name: 13-methyl-7-oxa-11-thia-1-azoniabicyclo[8.2.1]trideca-1(12),10(13)-dien-6-one bromide Formula: C11H16BrNO2S MolecularWeight: 306.21924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16NO2S.BrH/c1-9-10-5-7-14-11(13)4-2-3-6-12(9)8-15-10;/h8H,2-7H2,1H3;1H/q+1;/p-1