(3-cyclohexyl-3-oxidanyl-3-phenyl-propyl)-triethyl-azanium; octane-1-sulfonate

Systemtic Name: (3-cyclohexyl-3-oxidanyl-3-phenyl-propyl)-triethyl-azanium; octane-1-sulfonate Openeye Name: (3-cyclohexyl-3-hydroxy-3-phenyl-propyl)-triethyl-ammonium; octane-1-sulfonate CAS Name: (3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylammonium; 1-octanesulfonate IUPAC Name: (3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazanium; octane-1-sulfonate Traditional Name: (3-cyclohexyl-3-hydroxy-3-phenyl-propyl)-triethyl-ammonium; octane-1-sulfonate Formula: C29H53NO4S MolecularWeight: 511.80042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)[O-].CC[N+](CC)(CC)CCC(C1CCCCC1)(C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCS(=O)(=O)[O-].CC[N+](CC)(CC)CCC(C1CCCCC1)(C2=CC=CC=C2)O

InChI

InChI=1S/C21H36NO.C8H18O3S/c1-4-22(5-2,6-3)18-17-21(23,19-13-9-7-10-14-19)20-15-11-8-12-16-20;1-2-3-4-5-6-7-8-12(9,10)11/h7,9-10,13-14,20,23H,4-6,8,11-12,15-18H2,1-3H3;2-8H2,1H3,(H,9,10,11)/q+1;/p-1