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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3S/c1-17(2)8-3-9-20-12-6-4-11(5-7-12)14-16-13(10-21-14)15(18)19/h4-7,10H,3,8-9H2,1-2H3,(H,18,19)