4-methylbenzenesulfonic acid; (2-phenylmethoxypiperidin-1-yl) butanoate

Systemtic Name: 4-methylbenzenesulfonic acid; (2-phenylmethoxypiperidin-1-yl) butanoate Openeye Name: (2-benzyloxy-1-piperidyl) butanoate; 4-methylbenzenesulfonic acid CAS Name: butanoic acid (2-phenylmethoxy-1-piperidinyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: 4-methylbenzenesulfonic acid; (2-phenylmethoxypiperidin-1-yl) butanoate Traditional Name: butyric acid (2-benzoxypiperidino) ester; tosylic acid Formula: C23H31NO6S MolecularWeight: 449.56034

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)ON1CCCCC1OCC2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCC(=O)ON1CCCCC1OCC2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C16H23NO3.C7H8O3S/c1-2-8-16(18)20-17-12-7-6-11-15(17)19-13-14-9-4-3-5-10-14;1-6-2-4-7(5-3-6)11(8,9)10/h3-5,9-10,15H,2,6-8,11-13H2,1H3;2-5H,1H3,(H,8,9,10)