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

Systemtic Name: 2-[2-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiazol-4-yl]acetate CAS Name: 2-[2-[4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-4-thiazolyl]acetate IUPAC Name: 2-[2-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiazol-4-yl]acetate Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=CC=C(C=C2)C3=NC(=CS3)CC(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCOC2=CC=C(C=C2)C3=NC(=CS3)CC(=O)[O-]

InChI

InChI=1S/C17H20N2O3S/c20-16(21)11-14-12-23-17(18-14)13-3-5-15(6-4-13)22-10-9-19-7-1-2-8-19/h3-6,12H,1-2,7-11H2,(H,20,21)