3-(diphenylmethyl)-5-[(4-phenylmethoxypiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(diphenylmethyl)-5-[(4-phenylmethoxypiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-benzhydryl-5-[(4-benzyloxypiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-(diphenylmethyl)-5-[(4-phenylmethoxy-1-piperidin-1-iumyl)methyl]-1,2,4-oxadiazole IUPAC Name: 3-benzhydryl-5-[(4-phenylmethoxypiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-benzhydryl-5-[(4-benzoxypiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Formula: C28H30N3O2+ MolecularWeight: 440.5567

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OCC2=CC=CC=C2)CC3=NC(=NO3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1OCC2=CC=CC=C2)CC3=NC(=NO3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N3O2/c1-4-10-22(11-5-1)21-32-25-16-18-31(19-17-25)20-26-29-28(30-33-26)27(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,25,27H,16-21H2/p+1