3-(3-chlorophenyl)-5-[[(3R)-3-phenylpiperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(3-chlorophenyl)-5-[[(3R)-3-phenylpiperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-(3-chlorophenyl)-5-[[(3R)-3-phenylpiperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(3-chlorophenyl)-5-[[(3R)-3-phenyl-1-piperidin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(3-chlorophenyl)-5-[[(3R)-3-phenylpiperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-(3-chlorophenyl)-5-[[(3R)-3-phenylpiperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C20H21ClN3O+ MolecularWeight: 354.85324

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC(=NO2)C3=CC(=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC(=NO2)C3=CC(=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H20ClN3O/c21-18-10-4-8-16(12-18)20-22-19(25-23-20)14-24-11-5-9-17(13-24)15-6-2-1-3-7-15/h1-4,6-8,10,12,17H,5,9,11,13-14H2/p+1/t17-/m0/s1