3-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2-oxazole chloride

Systemtic Name: 3-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2-oxazole chloride Openeye Name: 3-phenyl-5-(piperidin-1-ium-1-ylmethyl)isoxazole chloride CAS Name: 3-phenyl-5-(1-piperidin-1-iumylmethyl)isoxazole chloride IUPAC Name: 3-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2-oxazole chloride Traditional Name: 3-phenyl-5-(piperidin-1-ium-1-ylmethyl)isoxazole chloride Formula: C15H19ClN2O MolecularWeight: 278.77716

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC(=NO2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC(=NO2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C15H18N2O.ClH/c1-3-7-13(8-4-1)15-11-14(18-16-15)12-17-9-5-2-6-10-17;/h1,3-4,7-8,11H,2,5-6,9-10,12H2;1H