[3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)phenyl] ethanoate bromide

Systemtic Name: [3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)phenyl] ethanoate bromide Openeye Name: [3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)phenyl] acetate bromide CAS Name: acetic acid [3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)phenyl] ester bromide IUPAC Name: [3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)phenyl] acetate bromide Traditional Name: acetic acid [3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)phenyl] ester bromide Formula: C16H23BrN2O2 MolecularWeight: 355.27002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1)N2CC[N+]3(CCCC3)CC2.[Br-]

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1)N2CC[N+]3(CCCC3)CC2.[Br-]

InChI

InChI=1S/C16H23N2O2.BrH/c1-14(19)20-16-6-4-5-15(13-16)17-7-11-18(12-8-17)9-2-3-10-18;/h4-6,13H,2-3,7-12H2,1H3;1H/q+1;/p-1