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

Systemtic Name: 3-(4-methoxyphenyl)-5-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 5-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole CAS Name: 3-(4-methoxyphenyl)-5-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 5-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole Traditional Name: 5-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole Formula: C22H26N3O2+ MolecularWeight: 364.46074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2/c1-26-20-9-7-19(8-10-20)22-23-21(27-24-22)16-25-13-11-18(12-14-25)15-17-5-3-2-4-6-17/h2-10,18H,11-16H2,1H3/p+1