2-[3-chloranyl-4-[3-(dimethylazaniumyl)propoxy]-5-ethoxy-phenyl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-[3-chloranyl-4-[3-(dimethylazaniumyl)propoxy]-5-ethoxy-phenyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[3-chloro-4-[3-(dimethylammonio)propoxy]-5-ethoxy-phenyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[3-chloro-4-[3-(dimethylammonio)propoxy]-5-ethoxyphenyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[3-chloro-4-[3-(dimethylazaniumyl)propoxy]-5-ethoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-chloro-4-[3-(dimethylammonio)propoxy]-5-ethoxy-phenyl]-4-methyl-thiazole-5-carboxylate Formula: C18H23ClN2O4S MolecularWeight: 398.90422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2=NC(=C(S2)C(=O)[O-])C)Cl)OCCC[NH+](C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2=NC(=C(S2)C(=O)[O-])C)Cl)OCCC[NH+](C)C

InChI

InChI=1S/C18H23ClN2O4S/c1-5-24-14-10-12(17-20-11(2)16(26-17)18(22)23)9-13(19)15(14)25-8-6-7-21(3)4/h9-10H,5-8H2,1-4H3,(H,22,23)