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

Systemtic Name: 2-[3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[3-methoxy-2-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-4-methyl-thiazole-5-carboxylate Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4S/c1-12-16(18(21)22)25-17(19-12)13-6-5-7-14(23-2)15(13)24-11-10-20-8-3-4-9-20/h5-7H,3-4,8-11H2,1-2H3,(H,21,22)