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

Systemtic Name: 4-ethyl-2-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-5-carboxylate Openeye Name: 4-ethyl-2-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiazole-5-carboxylate CAS Name: 4-ethyl-2-[4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-5-thiazolecarboxylate IUPAC Name: 4-ethyl-2-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-5-carboxylate Traditional Name: 4-ethyl-2-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiazole-5-carboxylate Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S/c1-2-15-16(18(21)22)24-17(19-15)13-5-7-14(8-6-13)23-12-11-20-9-3-4-10-20/h5-8H,2-4,9-12H2,1H3,(H,21,22)