4-methyl-2-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-5-carboxylate

Systemtic Name: 4-methyl-2-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-5-carboxylate Openeye Name: 4-methyl-2-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiazole-5-carboxylate CAS Name: 4-methyl-2-[3-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-5-thiazolecarboxylate IUPAC Name: 4-methyl-2-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]thiazole-5-carboxylate Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC(=CC=C2)OCC[NH+]3CCCC3)C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C2=CC(=CC=C2)OCC[NH+]3CCCC3)C(=O)[O-]

InChI

InChI=1S/C17H20N2O3S/c1-12-15(17(20)21)23-16(18-12)13-5-4-6-14(11-13)22-10-9-19-7-2-3-8-19/h4-6,11H,2-3,7-10H2,1H3,(H,20,21)