2-[4-[3-(dimethylazaniumyl)propoxy]-3-methoxy-phenyl]-1,3-thiazole-4-carboxylate

Systemtic Name: 2-[4-[3-(dimethylazaniumyl)propoxy]-3-methoxy-phenyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[4-[3-(dimethylammonio)propoxy]-3-methoxy-phenyl]thiazole-4-carboxylate CAS Name: 2-[4-[3-(dimethylammonio)propoxy]-3-methoxyphenyl]-4-thiazolecarboxylate IUPAC Name: 2-[4-[3-(dimethylazaniumyl)propoxy]-3-methoxyphenyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[4-[3-(dimethylammonio)propoxy]-3-methoxy-phenyl]thiazole-4-carboxylate Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)[O-])OC

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)[O-])OC

InChI

InChI=1S/C16H20N2O4S/c1-18(2)7-4-8-22-13-6-5-11(9-14(13)21-3)15-17-12(10-23-15)16(19)20/h5-6,9-10H,4,7-8H2,1-3H3,(H,19,20)