(1-methylpiperidin-3-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (1-methylpiperidin-3-yl)methyl 4-methylbenzenesulfonate Openeye Name: (1-methyl-3-piperidyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-methyl-3-piperidinyl)methyl ester IUPAC Name: (1-methylpiperidin-3-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-methyl-3-piperidyl)methyl ester Formula: C14H21NO3S MolecularWeight: 283.38644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCCN(C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCCN(C2)C

InChI

InChI=1S/C14H21NO3S/c1-12-5-7-14(8-6-12)19(16,17)18-11-13-4-3-9-15(2)10-13/h5-8,13H,3-4,9-11H2,1-2H3