2-[5-chloranyl-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-4-ethyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-[5-chloranyl-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-4-ethyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[5-chloro-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-4-ethyl-thiazole-5-carboxylate CAS Name: 2-[5-chloro-2-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-4-ethyl-5-thiazolecarboxylate IUPAC Name: 2-[5-chloro-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-4-ethyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[5-chloro-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-4-ethyl-thiazole-5-carboxylate Formula: C18H21ClN2O3S MolecularWeight: 380.88894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=N1)C2=C(C=CC(=C2)Cl)OCC[NH+]3CCCC3)C(=O)[O-]

Isomeric SMILES

CCC1=C(SC(=N1)C2=C(C=CC(=C2)Cl)OCC[NH+]3CCCC3)C(=O)[O-]

InChI

InChI=1S/C18H21ClN2O3S/c1-2-14-16(18(22)23)25-17(20-14)13-11-12(19)5-6-15(13)24-10-9-21-7-3-4-8-21/h5-6,11H,2-4,7-10H2,1H3,(H,22,23)