4-methylbenzenesulfonate; trimethyl-[2-(1-oxidanyl-2-phenyl-cyclohexyl)propyl]azanium

Systemtic Name: 4-methylbenzenesulfonate; trimethyl-[2-(1-oxidanyl-2-phenyl-cyclohexyl)propyl]azanium Openeye Name: 2-(1-hydroxy-2-phenyl-cyclohexyl)propyl-trimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: 2-(1-hydroxy-2-phenylcyclohexyl)propyl-trimethylammonium; 4-methylbenzenesulfonate IUPAC Name: 2-(1-hydroxy-2-phenylcyclohexyl)propyl-trimethylazanium; 4-methylbenzenesulfonate Traditional Name: 2-(1-hydroxy-2-phenyl-cyclohexyl)propyl-trimethyl-ammonium tosylate Formula: C25H37NO4S MolecularWeight: 447.63058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C[N+](C)(C)C)C1(CCCCC1C2=CC=CC=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C[N+](C)(C)C)C1(CCCCC1C2=CC=CC=C2)O

InChI

InChI=1S/C18H30NO.C7H8O3S/c1-15(14-19(2,3)4)18(20)13-9-8-12-17(18)16-10-6-5-7-11-16;1-6-2-4-7(5-3-6)11(8,9)10/h5-7,10-11,15,17,20H,8-9,12-14H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1