4-[(2R)-2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl]oxybut-2-ynyl-ethyl-azanium

Systemtic Name: 4-[(2R)-2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl]oxybut-2-ynyl-ethyl-azanium Openeye Name: 4-[(2R)-2-cyclohexyl-2-hydroxy-2-phenyl-acetyl]oxybut-2-ynyl-ethyl-ammonium CAS Name: 4-[(2R)-2-cyclohexyl-2-hydroxy-1-oxo-2-phenylethoxy]but-2-ynyl-ethylammonium IUPAC Name: 4-[(2R)-2-cyclohexyl-2-hydroxy-2-phenylacetyl]oxybut-2-ynyl-ethylazanium Traditional Name: 4-[(2R)-2-cyclohexyl-2-hydroxy-2-phenyl-acetyl]oxybut-2-ynyl-ethyl-ammonium Formula: C20H28NO3+ MolecularWeight: 330.44122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O

Isomeric SMILES

CC[NH2+]CC#CCOC(=O)[C@@](C1CCCCC1)(C2=CC=CC=C2)O

InChI

InChI=1S/C20H27NO3/c1-2-21-15-9-10-16-24-19(22)20(23,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3,5-6,11-12,18,21,23H,2,4,7-8,13-16H2,1H3/p+1/t20-/m0/s1