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

Systemtic Name: [3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)phenyl] propanoate bromide Openeye Name: [3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)phenyl] propanoate bromide CAS Name: propanoic 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] propanoate bromide Traditional Name: propionic acid [3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)phenyl] ester bromide Formula: C17H25BrN2O2 MolecularWeight: 369.2966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N2O2.BrH/c1-2-17(20)21-16-7-5-6-15(14-16)18-8-12-19(13-9-18)10-3-4-11-19;/h5-7,14H,2-4,8-13H2,1H3;1H/q+1;/p-1