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

Systemtic Name: 2-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[3-methoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-methoxy-4-(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=CC(=C(C=C2)OCC[NH+]3CCCC3)OC)C(=O)[O-]

Isomeric SMILES

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

InChI

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