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

Systemtic Name: 4-methyl-2-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-5-carboxylate Openeye Name: 4-methyl-2-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiazole-5-carboxylate CAS Name: 4-methyl-2-[4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-5-thiazolecarboxylate IUPAC Name: 4-methyl-2-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiazole-5-carboxylate Formula: C17H20N2O3S MolecularWeight: 332.4173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=C(C=C2)OCC[NH+]3CCCC3)C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=C(C=C2)OCC[NH+]3CCCC3)C(=O)[O-]

InChI

InChI=1S/C17H20N2O3S/c1-12-15(17(20)21)23-16(18-12)13-4-6-14(7-5-13)22-11-10-19-8-2-3-9-19/h4-7H,2-3,8-11H2,1H3,(H,20,21)