2-[2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: 2-[2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiazol-4-yl]acetate CAS Name: 2-[2-[2-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-4-thiazolyl]acetate IUPAC Name: 2-[2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiazol-4-yl]acetate Formula: C17H20N2O3S MolecularWeight: 332.4173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=CC=CC=C2C3=NC(=CS3)CC(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCOC2=CC=CC=C2C3=NC(=CS3)CC(=O)[O-]

InChI

InChI=1S/C17H20N2O3S/c20-16(21)11-13-12-23-17(18-13)14-5-1-2-6-15(14)22-10-9-19-7-3-4-8-19/h1-2,5-6,12H,3-4,7-11H2,(H,20,21)