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

Systemtic Name: 2-[4-[3-(dimethylazaniumyl)propoxy]-3-ethoxy-phenyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[4-[3-(dimethylammonio)propoxy]-3-ethoxy-phenyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[4-[3-(dimethylammonio)propoxy]-3-ethoxyphenyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[4-[3-(dimethylazaniumyl)propoxy]-3-ethoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[4-[3-(dimethylammonio)propoxy]-3-ethoxy-phenyl]-4-methyl-thiazole-5-carboxylate Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4S/c1-5-23-15-11-13(17-19-12(2)16(25-17)18(21)22)7-8-14(15)24-10-6-9-20(3)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,21,22)