(8,8-dipropyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-phenylcyclohex-2-ene-1-carboxylate

Systemtic Name: (8,8-dipropyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-phenylcyclohex-2-ene-1-carboxylate Openeye Name: (8,8-dipropyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-phenylcyclohex-2-ene-1-carboxylate CAS Name: 2-phenyl-1-cyclohex-2-enecarboxylic acid (8,8-dipropyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester IUPAC Name: (8,8-dipropyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-phenylcyclohex-2-ene-1-carboxylate Traditional Name: 2-phenylcyclohex-2-ene-1-carboxylic acid (8,8-dipropyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester Formula: C26H38NO2+ MolecularWeight: 396.58542

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C2CCC1CC(C2)OC(=O)C3CCCC=C3C4=CC=CC=C4)CCC

Isomeric SMILES

CCC[N+]1(C2CCC1CC(C2)OC(=O)C3CCCC=C3C4=CC=CC=C4)CCC

InChI

InChI=1S/C26H38NO2/c1-3-16-27(17-4-2)21-14-15-22(27)19-23(18-21)29-26(28)25-13-9-8-12-24(25)20-10-6-5-7-11-20/h5-7,10-12,21-23,25H,3-4,8-9,13-19H2,1-2H3/q+1