2-[2-[5-chloranyl-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: 2-[2-[5-chloranyl-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[5-chloro-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiazol-4-yl]acetate CAS Name: 2-[2-[5-chloro-2-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-4-thiazolyl]acetate IUPAC Name: 2-[2-[5-chloro-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[5-chloro-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiazol-4-yl]acetate Formula: C17H19ClN2O3S MolecularWeight: 366.86236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O3S/c18-12-3-4-15(23-8-7-20-5-1-2-6-20)14(9-12)17-19-13(11-24-17)10-16(21)22/h3-4,9,11H,1-2,5-8,10H2,(H,21,22)