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

Systemtic Name: 2-[3-bromanyl-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[3-bromo-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiazole-4-carboxylate CAS Name: 2-[3-bromo-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-4-thiazolecarboxylate IUPAC Name: 2-[3-bromo-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[3-bromo-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiazole-4-carboxylate Formula: C16H17BrN2O3S MolecularWeight: 397.28678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN2O3S/c17-12-9-11(15-18-13(10-23-15)16(20)21)3-4-14(12)22-8-7-19-5-1-2-6-19/h3-4,9-10H,1-2,5-8H2,(H,20,21)