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

Systemtic Name: 2-[4-[3-(dimethylazaniumyl)propoxy]phenyl]-4-ethyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[4-[3-(dimethylammonio)propoxy]phenyl]-4-ethyl-thiazole-5-carboxylate CAS Name: 2-[4-[3-(dimethylammonio)propoxy]phenyl]-4-ethyl-5-thiazolecarboxylate IUPAC Name: 2-[4-[3-(dimethylazaniumyl)propoxy]phenyl]-4-ethyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[4-[3-(dimethylammonio)propoxy]phenyl]-4-ethyl-thiazole-5-carboxylate Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=N1)C2=CC=C(C=C2)OCCC[NH+](C)C)C(=O)[O-]

Isomeric SMILES

CCC1=C(SC(=N1)C2=CC=C(C=C2)OCCC[NH+](C)C)C(=O)[O-]

InChI

InChI=1S/C17H22N2O3S/c1-4-14-15(17(20)21)23-16(18-14)12-6-8-13(9-7-12)22-11-5-10-19(2)3/h6-9H,4-5,10-11H2,1-3H3,(H,20,21)