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

Systemtic Name: 3-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2-oxazole chloride Openeye Name: 3-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)isoxazole chloride CAS Name: 3-phenyl-5-(1-pyrrolidin-1-iumylmethyl)isoxazole chloride IUPAC Name: 3-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2-oxazole chloride Traditional Name: 3-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)isoxazole chloride Formula: C14H17ClN2O MolecularWeight: 264.75058

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC(=NO2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1CC[NH+](C1)CC2=CC(=NO2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C14H16N2O.ClH/c1-2-6-12(7-3-1)14-10-13(17-15-14)11-16-8-4-5-9-16;/h1-3,6-7,10H,4-5,8-9,11H2;1H