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[2-(4-chlorophenyl)-2-(pyridin-2-ylmethoxy)piperidin-1-yl] butanoate; 4-methylbenzenesulfonic acid

[2-(4-chlorophenyl)-2-(pyridin-2-ylmethoxy)piperidin-1-yl] butanoate; 4-methylbenzenesulfonic acid

Systemtic Name:[2-(4-chlorophenyl)-2-(pyridin-2-ylmethoxy)piperidin-1-yl] butanoate; 4-methylbenzenesulfonic acid
Openeye Name:[2-(4-chlorophenyl)-2-(2-pyridylmethoxy)-1-piperidyl] butanoate; 4-methylbenzenesulfonic acid
CAS Name:butanoic acid [2-(4-chlorophenyl)-2-(2-pyridinylmethoxy)-1-piperidinyl] ester; 4-methylbenzenesulfonic acid
IUPAC Name:[2-(4-chlorophenyl)-2-(pyridin-2-ylmethoxy)piperidin-1-yl] butanoate; 4-methylbenzenesulfonic acid
Traditional Name:butyric acid [2-(4-chlorophenyl)-2-(2-pyridylmethoxy)piperidino] ester; tosylic acid
Formula: C28H33ClN2O6S
MolecularWeight: 561.08942
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)ON1CCCCC1(C2=CC=C(C=C2)Cl)OCC3=CC=CC=N3.CC1=CC=C(C=C1)S(=O)(=O)O


Isomeric SMILES

CCCC(=O)ON1CCCCC1(C2=CC=C(C=C2)Cl)OCC3=CC=CC=N3.CC1=CC=C(C=C1)S(=O)(=O)O


InChI

InChI=1S/C21H25ClN2O3.C7H8O3S/c1-2-7-20(25)27-24-15-6-4-13-21(24,17-9-11-18(22)12-10-17)26-16-19-8-3-5-14-23-19;1-6-2-4-7(5-3-6)11(8,9)10/h3,5,8-12,14H,2,4,6-7,13,15-16H2,1H3;2-5H,1H3,(H,8,9,10)


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