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

Systemtic Name: 2-[2-[3-(dimethylazaniumyl)propoxy]phenyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[2-[3-(dimethylammonio)propoxy]phenyl]thiazole-4-carboxylate CAS Name: 2-[2-[3-(dimethylammonio)propoxy]phenyl]-4-thiazolecarboxylate IUPAC Name: 2-[2-[3-(dimethylazaniumyl)propoxy]phenyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[2-[3-(dimethylammonio)propoxy]phenyl]thiazole-4-carboxylate Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=CC=CC=C1C2=NC(=CS2)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCOC1=CC=CC=C1C2=NC(=CS2)C(=O)[O-]

InChI

InChI=1S/C15H18N2O3S/c1-17(2)8-5-9-20-13-7-4-3-6-11(13)14-16-12(10-21-14)15(18)19/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,18,19)