4-methylbenzenesulfonic acid; 2-[methyl-(phenylmethyl)amino]ethanol

Systemtic Name: 4-methylbenzenesulfonic acid; 2-[methyl-(phenylmethyl)amino]ethanol Openeye Name: 2-[benzyl(methyl)amino]ethanol; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; 2-[methyl-(phenylmethyl)amino]ethanol IUPAC Name: 2-[benzyl(methyl)amino]ethanol; 4-methylbenzenesulfonic acid Traditional Name: 2-[benzyl(methyl)amino]ethanol; tosylic acid Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15NO.C7H8O3S/c1-11(7-8-12)9-10-5-3-2-4-6-10;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,12H,7-9H2,1H3;2-5H,1H3,(H,8,9,10)