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

Systemtic Name: 2-[ethyl-(phenylmethyl)amino]ethanol; 4-methylbenzenesulfonic acid Openeye Name: 2-[benzyl(ethyl)amino]ethanol; 4-methylbenzenesulfonic acid CAS Name: 2-[ethyl-(phenylmethyl)amino]ethanol; 4-methylbenzenesulfonic acid IUPAC Name: 2-[benzyl(ethyl)amino]ethanol; 4-methylbenzenesulfonic acid Traditional Name: 2-[benzyl(ethyl)amino]ethanol; tosylic acid Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17NO.C7H8O3S/c1-2-12(8-9-13)10-11-6-4-3-5-7-11;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,13H,2,8-10H2,1H3;2-5H,1H3,(H,8,9,10)