[(2R)-1-pyrrolidin-1-ium-1-ylpropan-2-yl] 4-chloranylbenzoate

Systemtic Name: [(2R)-1-pyrrolidin-1-ium-1-ylpropan-2-yl] 4-chloranylbenzoate Openeye Name: [(1R)-1-methyl-2-pyrrolidin-1-ium-1-yl-ethyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(2R)-1-(1-pyrrolidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-pyrrolidin-1-ium-1-ylpropan-2-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(1R)-1-methyl-2-pyrrolidin-1-ium-1-yl-ethyl] ester Formula: C14H19ClNO2+ MolecularWeight: 268.75916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCC1)OC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@H](C[NH+]1CCCC1)OC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H18ClNO2/c1-11(10-16-8-2-3-9-16)18-14(17)12-4-6-13(15)7-5-12/h4-7,11H,2-3,8-10H2,1H3/p+1/t11-/m1/s1