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

Systemtic Name: 2-[2-[4-[3-(dimethylazaniumyl)propoxy]-3-methoxy-phenyl]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[4-[3-(dimethylammonio)propoxy]-3-methoxy-phenyl]thiazol-4-yl]acetate CAS Name: 2-[2-[4-[3-(dimethylammonio)propoxy]-3-methoxyphenyl]-4-thiazolyl]acetate IUPAC Name: 2-[2-[4-[3-(dimethylazaniumyl)propoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[4-[3-(dimethylammonio)propoxy]-3-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=C(C=C1)C2=NC(=CS2)CC(=O)[O-])OC

Isomeric SMILES

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

InChI

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