(2S)-1-(dimethylamino)-3-methyl-but-3-en-2-ol; 4-methylbenzenesulfonic acid

Systemtic Name: (2S)-1-(dimethylamino)-3-methyl-but-3-en-2-ol; 4-methylbenzenesulfonic acid Openeye Name: (2S)-1-(dimethylamino)-3-methyl-but-3-en-2-ol; 4-methylbenzenesulfonic acid CAS Name: (2S)-1-(dimethylamino)-3-methyl-3-buten-2-ol; 4-methylbenzenesulfonic acid IUPAC Name: (2S)-1-(dimethylamino)-3-methylbut-3-en-2-ol; 4-methylbenzenesulfonic acid Traditional Name: (2S)-1-(dimethylamino)-3-methyl-but-3-en-2-ol; tosylic acid Formula: C14H23NO4S MolecularWeight: 301.40172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=C)C(CN(C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=C)[C@@H](CN(C)C)O

InChI

InChI=1S/C7H15NO.C7H8O3S/c1-6(2)7(9)5-8(3)4;1-6-2-4-7(5-3-6)11(8,9)10/h7,9H,1,5H2,2-4H3;2-5H,1H3,(H,8,9,10)/t7-;/m1./s1