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

Systemtic Name: (3-cyclohexyl-3-oxidanyl-3-phenyl-propyl)-triethyl-azanium; hexane-1-sulfonate Openeye Name: (3-cyclohexyl-3-hydroxy-3-phenyl-propyl)-triethyl-ammonium; hexane-1-sulfonate CAS Name: (3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylammonium; 1-hexanesulfonate IUPAC Name: (3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazanium; hexane-1-sulfonate Traditional Name: (3-cyclohexyl-3-hydroxy-3-phenyl-propyl)-triethyl-ammonium; hexane-1-sulfonate Formula: C27H49NO4S MolecularWeight: 483.74726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36NO.C6H14O3S/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;1-2-3-4-5-6-10(7,8)9/h7,9-10,13-14,20,23H,4-6,8,11-12,15-18H2,1-3H3;2-6H2,1H3,(H,7,8,9)/q+1;/p-1