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

Systemtic Name: 2-[2-[4-methoxy-3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[4-methoxy-3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiazol-4-yl]acetate CAS Name: 2-[2-[4-methoxy-3-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-4-thiazolyl]acetate IUPAC Name: 2-[2-[4-methoxy-3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[4-methoxy-3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiazol-4-yl]acetate Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)[O-])OCC[NH+]3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)[O-])OCC[NH+]3CCCC3

InChI

InChI=1S/C18H22N2O4S/c1-23-15-5-4-13(18-19-14(12-25-18)11-17(21)22)10-16(15)24-9-8-20-6-2-3-7-20/h4-5,10,12H,2-3,6-9,11H2,1H3,(H,21,22)