2-[2-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-2-ol; 4-methylbenzenesulfonic acid

Systemtic Name: 2-[2-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-2-ol; 4-methylbenzenesulfonic acid Openeye Name: 2-[2-[(4-methoxyphenyl)methyl]-3-piperidyl]propan-2-ol; 4-methylbenzenesulfonic acid CAS Name: 2-[2-[(4-methoxyphenyl)methyl]-3-piperidinyl]-2-propanol; 4-methylbenzenesulfonic acid IUPAC Name: 2-[2-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-2-ol; 4-methylbenzenesulfonic acid Traditional Name: 2-(2-p-anisyl-3-piperidyl)propan-2-ol; tosylic acid Formula: C23H33NO5S MolecularWeight: 435.57682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C1CCCNC1CC2=CC=C(C=C2)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C1CCCNC1CC2=CC=C(C=C2)OC)O

InChI

InChI=1S/C16H25NO2.C7H8O3S/c1-16(2,18)14-5-4-10-17-15(14)11-12-6-8-13(19-3)9-7-12;1-6-2-4-7(5-3-6)11(8,9)10/h6-9,14-15,17-18H,4-5,10-11H2,1-3H3;2-5H,1H3,(H,8,9,10)