[5-(dimethylamino)-2-piperidin-1-yl-pentyl] 4-methylbenzenesulfonate

Systemtic Name: [5-(dimethylamino)-2-piperidin-1-yl-pentyl] 4-methylbenzenesulfonate Openeye Name: [5-(dimethylamino)-2-(1-piperidyl)pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(dimethylamino)-2-(1-piperidinyl)pentyl] ester IUPAC Name: [5-(dimethylamino)-2-piperidin-1-ylpentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-(dimethylamino)-2-piperidino-pentyl] ester Formula: C19H32N2O3S MolecularWeight: 368.53398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCCN(C)C)N2CCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCCN(C)C)N2CCCCC2

InChI

InChI=1S/C19H32N2O3S/c1-17-9-11-19(12-10-17)25(22,23)24-16-18(8-7-13-20(2)3)21-14-5-4-6-15-21/h9-12,18H,4-8,13-16H2,1-3H3