1-prop-2-enyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]azocan-1-ium bromide

Systemtic Name: 1-prop-2-enyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]azocan-1-ium bromide Openeye Name: 1-allyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]azocan-1-ium bromide CAS Name: 1-prop-2-enyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]azocan-1-ium bromide IUPAC Name: 1-prop-2-enyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]azocan-1-ium bromide Traditional Name: 1-allyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]azocan-1-ium bromide Formula: C19H27BrF3NO MolecularWeight: 422.32299

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1(CCCCCCC1)CCOC2=CC=CC(=C2)C(F)(F)F.[Br-]

Isomeric SMILES

C=CC[N+]1(CCCCCCC1)CCOC2=CC=CC(=C2)C(F)(F)F.[Br-]

InChI

InChI=1S/C19H27F3NO.BrH/c1-2-11-23(12-6-4-3-5-7-13-23)14-15-24-18-10-8-9-17(16-18)19(20,21)22;/h2,8-10,16H,1,3-7,11-15H2;1H/q+1;/p-1