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

Systemtic Name: 2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole chloride Openeye Name: 2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole chloride CAS Name: 2-[2-(1-piperidin-1-iumyl)ethylthio]-1,3-benzoxazole chloride IUPAC Name: 2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole chloride Traditional Name: 2-(2-piperidin-1-ium-1-ylethylthio)-1,3-benzoxazole chloride Formula: C14H19ClN2OS MolecularWeight: 298.83146

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=NC3=CC=CC=C3O2.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=NC3=CC=CC=C3O2.[Cl-]

InChI

InChI=1S/C14H18N2OS.ClH/c1-4-8-16(9-5-1)10-11-18-14-15-12-6-2-3-7-13(12)17-14;/h2-3,6-7H,1,4-5,8-11H2;1H