[3-(6,7-dimethyl-7-azoniabicyclo[3.2.1]octan-5-yl)phenyl] propanoate bromide

Systemtic Name: [3-(6,7-dimethyl-7-azoniabicyclo[3.2.1]octan-5-yl)phenyl] propanoate bromide Openeye Name: [3-(6,7-dimethyl-7-azoniabicyclo[3.2.1]octan-5-yl)phenyl] propanoate bromide CAS Name: propanoic acid [3-(6,7-dimethyl-7-azoniabicyclo[3.2.1]octan-5-yl)phenyl] ester bromide IUPAC Name: [3-(6,7-dimethyl-7-azoniabicyclo[3.2.1]octan-5-yl)phenyl] propanoate bromide Traditional Name: propionic acid [3-(6,7-dimethyl-7-azoniabicyclo[3.2.1]octan-5-yl)phenyl] ester bromide Formula: C18H26BrNO2 MolecularWeight: 368.30854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC=CC(=C1)C23CCCC(C2)[NH+](C3C)C.[Br-]

Isomeric SMILES

CCC(=O)OC1=CC=CC(=C1)C23CCCC(C2)[NH+](C3C)C.[Br-]

InChI

InChI=1S/C18H25NO2.BrH/c1-4-17(20)21-16-9-5-7-14(11-16)18-10-6-8-15(12-18)19(3)13(18)2;/h5,7,9,11,13,15H,4,6,8,10,12H2,1-3H3;1H