2-[2-[2-[3-(dimethylazaniumyl)propoxy]-4-methoxy-phenyl]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: 2-[2-[2-[3-(dimethylazaniumyl)propoxy]-4-methoxy-phenyl]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[2-[3-(dimethylammonio)propoxy]-4-methoxy-phenyl]thiazol-4-yl]acetate CAS Name: 2-[2-[2-[3-(dimethylammonio)propoxy]-4-methoxyphenyl]-4-thiazolyl]acetate IUPAC Name: 2-[2-[2-[3-(dimethylazaniumyl)propoxy]-4-methoxyphenyl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[2-[3-(dimethylammonio)propoxy]-4-methoxy-phenyl]thiazol-4-yl]acetate Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4S/c1-19(2)7-4-8-23-15-10-13(22-3)5-6-14(15)17-18-12(11-24-17)9-16(20)21/h5-6,10-11H,4,7-9H2,1-3H3,(H,20,21)