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

Systemtic Name: 3-phenyl-5-(3-piperidin-1-ium-1-ylpropyl)-1,2-oxazole chloride Openeye Name: 3-phenyl-5-(3-piperidin-1-ium-1-ylpropyl)isoxazole chloride CAS Name: 3-phenyl-5-[3-(1-piperidin-1-iumyl)propyl]isoxazole chloride IUPAC Name: 3-phenyl-5-(3-piperidin-1-ium-1-ylpropyl)-1,2-oxazole chloride Traditional Name: 3-phenyl-5-(3-piperidin-1-ium-1-ylpropyl)isoxazole chloride Formula: C17H23ClN2O MolecularWeight: 306.83032

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCC2=CC(=NO2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CCCC2=CC(=NO2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C17H22N2O.ClH/c1-3-8-15(9-4-1)17-14-16(20-18-17)10-7-13-19-11-5-2-6-12-19;/h1,3-4,8-9,14H,2,5-7,10-13H2;1H