[6-(2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl)oxy-3-ethyl-hexan-3-yl]azanium

Systemtic Name: [6-(2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl)oxy-3-ethyl-hexan-3-yl]azanium Openeye Name: [4-(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxy-1,1-diethyl-butyl]ammonium CAS Name: [6-(2-cyclohexyl-2-hydroxy-1-oxo-2-phenylethoxy)-3-ethylhexan-3-yl]ammonium IUPAC Name: [6-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxy-3-ethylhexan-3-yl]azanium Traditional Name: [4-(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxy-1,1-diethyl-butyl]ammonium Formula: C22H36NO3+ MolecularWeight: 362.52614

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CCCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O)[NH3+]

Isomeric SMILES

CCC(CC)(CCCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O)[NH3+]

InChI

InChI=1S/C22H35NO3/c1-3-21(23,4-2)16-11-17-26-20(24)22(25,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5,7-8,12-13,19,25H,3-4,6,9-11,14-17,23H2,1-2H3/p+1