1-octyl-1-(2-phenylethanoyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-ium-2-carboxylate

Systemtic Name: 1-octyl-1-(2-phenylethanoyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-ium-2-carboxylate Openeye Name: 1-octyl-1-(2-phenylacetyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-ium-2-carboxylate CAS Name: 1-octyl-1-(1-oxo-2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-ium-2-carboxylate IUPAC Name: 1-octyl-1-(2-phenylacetyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-ium-2-carboxylate Traditional Name: 1-octyl-1-(2-phenylacetyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-ium-2-carboxylate Formula: C24H35NO3 MolecularWeight: 385.5396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1(C2CCCC2CC1C(=O)[O-])C(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCC[N+]1(C2CCCC2CC1C(=O)[O-])C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H35NO3/c1-2-3-4-5-6-10-16-25(23(26)17-19-12-8-7-9-13-19)21-15-11-14-20(21)18-22(25)24(27)28/h7-9,12-13,20-22H,2-6,10-11,14-18H2,1H3