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

Systemtic Name: 5-chloranyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole chloride Openeye Name: 5-chloro-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole chloride CAS Name: 5-chloro-2-[2-(1-piperidin-1-iumyl)ethylthio]-1,3-benzoxazole chloride IUPAC Name: 5-chloro-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole chloride Traditional Name: 5-chloro-2-(2-piperidin-1-ium-1-ylethylthio)-1,3-benzoxazole chloride Formula: C14H18Cl2N2OS MolecularWeight: 333.27652

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=NC3=C(O2)C=CC(=C3)Cl.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=NC3=C(O2)C=CC(=C3)Cl.[Cl-]

InChI

InChI=1S/C14H17ClN2OS.ClH/c15-11-4-5-13-12(10-11)16-14(18-13)19-9-8-17-6-2-1-3-7-17;/h4-5,10H,1-3,6-9H2;1H