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

Systemtic Name: 3-(4-methoxyphenyl)-5-[(4-phenylmethoxypiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 5-[(4-benzyloxypiperidin-1-ium-1-yl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole CAS Name: 3-(4-methoxyphenyl)-5-[(4-phenylmethoxy-1-piperidin-1-iumyl)methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-methoxyphenyl)-5-[(4-phenylmethoxypiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 5-[(4-benzoxypiperidin-1-ium-1-yl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCC(CC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCC(CC3)OCC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3/c1-26-19-9-7-18(8-10-19)22-23-21(28-24-22)15-25-13-11-20(12-14-25)27-16-17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3/p+1