2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxylate

Systemtic Name: 2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiazole-4-carboxylate CAS Name: 2-[2-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-4-thiazolecarboxylate IUPAC Name: 2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiazole-4-carboxylate Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=CC=CC=C2C3=NC(=CS3)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCOC2=CC=CC=C2C3=NC(=CS3)C(=O)[O-]

InChI

InChI=1S/C16H18N2O3S/c19-16(20)13-11-22-15(17-13)12-5-1-2-6-14(12)21-10-9-18-7-3-4-8-18/h1-2,5-6,11H,3-4,7-10H2,(H,19,20)