4-methylbenzenesulfonic acid; 4-methyl-1-(phenylmethyl)piperidin-3-ol

Systemtic Name: 4-methylbenzenesulfonic acid; 4-methyl-1-(phenylmethyl)piperidin-3-ol Openeye Name: 1-benzyl-4-methyl-piperidin-3-ol; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; 4-methyl-1-(phenylmethyl)-3-piperidinol IUPAC Name: 1-benzyl-4-methylpiperidin-3-ol; 4-methylbenzenesulfonic acid Traditional Name: 1-benzyl-4-methyl-piperidin-3-ol; tosylic acid Formula: C20H27NO4S MolecularWeight: 377.49768

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1O)CC2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1CCN(CC1O)CC2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C13H19NO.C7H8O3S/c1-11-7-8-14(10-13(11)15)9-12-5-3-2-4-6-12;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,11,13,15H,7-10H2,1H3;2-5H,1H3,(H,8,9,10)