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

Systemtic Name: 3-(4-methoxyphenyl)-5-[[4-(4-methylphenyl)sulfanylpiperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-(4-methoxyphenyl)-5-[[4-(p-tolylsulfanyl)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(4-methoxyphenyl)-5-[[4-[(4-methylphenyl)thio]-1-piperidin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-methoxyphenyl)-5-[[4-(4-methylphenyl)sulfanylpiperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-(4-methoxyphenyl)-5-[[4-(p-tolylthio)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H25N3O2S/c1-16-3-9-19(10-4-16)28-20-11-13-25(14-12-20)15-21-23-22(24-27-21)17-5-7-18(26-2)8-6-17/h3-10,20H,11-15H2,1-2H3/p+1