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

Systemtic Name: 4-ethyl-2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)naphthalen-1-yl]-1,3-thiazole-5-carboxylate Openeye Name: 4-ethyl-2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)-1-naphthyl]thiazole-5-carboxylate CAS Name: 4-ethyl-2-[2-[2-(1-pyrrolidin-1-iumyl)ethoxy]-1-naphthalenyl]-5-thiazolecarboxylate IUPAC Name: 4-ethyl-2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)naphthalen-1-yl]-1,3-thiazole-5-carboxylate Traditional Name: 4-ethyl-2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)-1-naphthyl]thiazole-5-carboxylate Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=N1)C2=C(C=CC3=CC=CC=C32)OCC[NH+]4CCCC4)C(=O)[O-]

Isomeric SMILES

CCC1=C(SC(=N1)C2=C(C=CC3=CC=CC=C32)OCC[NH+]4CCCC4)C(=O)[O-]

InChI

InChI=1S/C22H24N2O3S/c1-2-17-20(22(25)26)28-21(23-17)19-16-8-4-3-7-15(16)9-10-18(19)27-14-13-24-11-5-6-12-24/h3-4,7-10H,2,5-6,11-14H2,1H3,(H,25,26)