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

Systemtic Name: 3-phenyl-5-[[(3R)-3-phenylpiperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-phenyl-5-[[(3R)-3-phenylpiperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-phenyl-5-[[(3R)-3-phenyl-1-piperidin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-phenyl-5-[[(3R)-3-phenylpiperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-phenyl-5-[[(3R)-3-phenylpiperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C20H22N3O+ MolecularWeight: 320.40818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O/c1-3-8-16(9-4-1)18-12-7-13-23(14-18)15-19-21-20(22-24-19)17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2/p+1/t18-/m0/s1