ethyl 1-(phenylmethyl)-1-azoniabicyclo[3.3.1]nonane-5-carboxylate bromide

Systemtic Name: ethyl 1-(phenylmethyl)-1-azoniabicyclo[3.3.1]nonane-5-carboxylate bromide Openeye Name: ethyl 1-benzyl-1-azoniabicyclo[3.3.1]nonane-5-carboxylate bromide CAS Name: 1-(phenylmethyl)-1-azoniabicyclo[3.3.1]nonane-5-carboxylic acid ethyl ester bromide IUPAC Name: ethyl 1-benzyl-1-azoniabicyclo[3.3.1]nonane-5-carboxylate bromide Traditional Name: 1-benzyl-1-azoniabicyclo[3.3.1]nonane-5-carboxylic acid ethyl ester bromide Formula: C18H26BrNO2 MolecularWeight: 368.30854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12CCC[N+](C1)(CCC2)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CCOC(=O)C12CCC[N+](C1)(CCC2)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C18H26NO2.BrH/c1-2-21-17(20)18-10-6-12-19(15-18,13-7-11-18)14-16-8-4-3-5-9-16;/h3-5,8-9H,2,6-7,10-15H2,1H3;1H/q+1;/p-1