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

Systemtic Name: 1-octyl-1-(6-phenylhexanoyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-ium-2-carboxylate Openeye Name: 1-octyl-1-(6-phenylhexanoyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-ium-2-carboxylate CAS Name: 1-octyl-1-(1-oxo-6-phenylhexyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-ium-2-carboxylate IUPAC Name: 1-octyl-1-(6-phenylhexanoyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-ium-2-carboxylate Traditional Name: 1-octyl-1-(6-phenylhexanoyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-ium-2-carboxylate Formula: C28H43NO3 MolecularWeight: 441.64592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1(C2CCCC2CC1C(=O)[O-])C(=O)CCCCCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCC[N+]1(C2CCCC2CC1C(=O)[O-])C(=O)CCCCCC3=CC=CC=C3

InChI

InChI=1S/C28H43NO3/c1-2-3-4-5-6-13-21-29(25-19-14-18-24(25)22-26(29)28(31)32)27(30)20-12-8-11-17-23-15-9-7-10-16-23/h7,9-10,15-16,24-26H,2-6,8,11-14,17-22H2,1H3