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

Systemtic Name: 2-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiazole-4-carboxylate CAS Name: 2-[4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-4-thiazolecarboxylate IUPAC Name: 2-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiazole-4-carboxylate Formula: C16H18N2O3S MolecularWeight: 318.39072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=CC=C(C=C2)C3=NC(=CS3)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCOC2=CC=C(C=C2)C3=NC(=CS3)C(=O)[O-]

InChI

InChI=1S/C16H18N2O3S/c19-16(20)14-11-22-15(17-14)12-3-5-13(6-4-12)21-10-9-18-7-1-2-8-18/h3-6,11H,1-2,7-10H2,(H,19,20)