6-methoxy-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole chloride

Systemtic Name: 6-methoxy-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole chloride Openeye Name: 6-methoxy-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole chloride CAS Name: 6-methoxy-2-[2-(1-piperidin-1-iumyl)ethylthio]-1,3-benzoxazole chloride IUPAC Name: 6-methoxy-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole chloride Traditional Name: 6-methoxy-2-(2-piperidin-1-ium-1-ylethylthio)-1,3-benzoxazole chloride Formula: C15H21ClN2O2S MolecularWeight: 328.85744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(O2)SCC[NH+]3CCCCC3.[Cl-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(O2)SCC[NH+]3CCCCC3.[Cl-]

InChI

InChI=1S/C15H20N2O2S.ClH/c1-18-12-5-6-13-14(11-12)19-15(16-13)20-10-9-17-7-3-2-4-8-17;/h5-6,11H,2-4,7-10H2,1H3;1H