3-(4-chlorophenyl)-5-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole chloride

Systemtic Name: 3-(4-chlorophenyl)-5-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole chloride Openeye Name: 3-(4-chlorophenyl)-5-(2-piperidin-1-ium-1-ylethyl)isoxazole chloride CAS Name: 3-(4-chlorophenyl)-5-[2-(1-piperidin-1-iumyl)ethyl]isoxazole chloride IUPAC Name: 3-(4-chlorophenyl)-5-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole chloride Traditional Name: 3-(4-chlorophenyl)-5-(2-piperidin-1-ium-1-ylethyl)isoxazole chloride Formula: C16H20Cl2N2O MolecularWeight: 327.2488

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC2=CC(=NO2)C3=CC=C(C=C3)Cl.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CCC2=CC(=NO2)C3=CC=C(C=C3)Cl.[Cl-]

InChI

InChI=1S/C16H19ClN2O.ClH/c17-14-6-4-13(5-7-14)16-12-15(20-18-16)8-11-19-9-2-1-3-10-19;/h4-7,12H,1-3,8-11H2;1H