4-methylbenzenesulfonate; (4R,5R)-4-methyl-4-(3-methylbut-2-enyl)-5-phenyl-morpholin-4-ium-2-one

Systemtic Name: 4-methylbenzenesulfonate; (4R,5R)-4-methyl-4-(3-methylbut-2-enyl)-5-phenyl-morpholin-4-ium-2-one Openeye Name: 4-methylbenzenesulfonate; (4R,5R)-4-methyl-4-(3-methylbut-2-enyl)-5-phenyl-morpholin-4-ium-2-one CAS Name: 4-methylbenzenesulfonate; (4R,5R)-4-methyl-4-(3-methylbut-2-enyl)-5-phenyl-2-morpholin-4-iumone IUPAC Name: 4-methylbenzenesulfonate; (4R,5R)-4-methyl-4-(3-methylbut-2-enyl)-5-phenylmorpholin-4-ium-2-one Traditional Name: (4R,5R)-4-methyl-4-(3-methylbut-2-enyl)-5-phenyl-morpholin-4-ium-2-one tosylate Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=CC[N+]1(CC(=O)OCC1C2=CC=CC=C2)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=CC[N@@+]1(CC(=O)OC[C@H]1C2=CC=CC=C2)C)C

InChI

InChI=1S/C16H22NO2.C7H8O3S/c1-13(2)9-10-17(3)11-16(18)19-12-15(17)14-7-5-4-6-8-14;1-6-2-4-7(5-3-6)11(8,9)10/h4-9,15H,10-12H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/t15-,17+;/m0./s1