[(3S,4R)-4-methyl-1-(phenylmethyl)pyrrolidin-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(3S,4R)-4-methyl-1-(phenylmethyl)pyrrolidin-3-yl] 4-methylbenzenesulfonate Openeye Name: [(3S,4R)-1-benzyl-4-methyl-pyrrolidin-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3S,4R)-4-methyl-1-(phenylmethyl)-3-pyrrolidinyl] ester IUPAC Name: [(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3S,4R)-1-benzyl-4-methyl-pyrrolidin-3-yl] ester Formula: C19H23NO3S MolecularWeight: 345.45582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC1OS(=O)(=O)C2=CC=C(C=C2)C)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CN(C[C@H]1OS(=O)(=O)C2=CC=C(C=C2)C)CC3=CC=CC=C3

InChI

InChI=1S/C19H23NO3S/c1-15-8-10-18(11-9-15)24(21,22)23-19-14-20(12-16(19)2)13-17-6-4-3-5-7-17/h3-11,16,19H,12-14H2,1-2H3/t16-,19-/m1/s1