[3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]cyclobutyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]cyclobutyl] 4-methylbenzenesulfonate Openeye Name: [3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]cyclobutyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[(3R)-3-(dimethylamino)-1-pyrrolidinyl]cyclobutyl] ester IUPAC Name: [3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]cyclobutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[(3R)-3-(dimethylamino)pyrrolidino]cyclobutyl] ester Formula: C17H26N2O3S MolecularWeight: 338.46494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(C2)N3CCC(C3)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(C2)N3CC[C@H](C3)N(C)C

InChI

InChI=1S/C17H26N2O3S/c1-13-4-6-17(7-5-13)23(20,21)22-16-10-15(11-16)19-9-8-14(12-19)18(2)3/h4-7,14-16H,8-12H2,1-3H3/t14-,15?,16?/m1/s1