2-[2-[3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: 2-[2-[3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiazol-4-yl]acetate CAS Name: 2-[2-[3-ethoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-4-thiazolyl]acetate IUPAC Name: 2-[2-[3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiazol-4-yl]acetate Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=NC(=CS2)CC(=O)[O-])OCC[NH+]3CCCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=NC(=CS2)CC(=O)[O-])OCC[NH+]3CCCC3

InChI

InChI=1S/C19H24N2O4S/c1-2-24-17-11-14(19-20-15(13-26-19)12-18(22)23)5-6-16(17)25-10-9-21-7-3-4-8-21/h5-6,11,13H,2-4,7-10,12H2,1H3,(H,22,23)