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

Systemtic Name: 3-(4-methylphenyl)-5-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 5-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-(p-tolyl)-1,2,4-oxadiazole CAS Name: 3-(4-methylphenyl)-5-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 5-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole Traditional Name: 5-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-(p-tolyl)-1,2,4-oxadiazole Formula: C22H26N3O+ MolecularWeight: 348.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O/c1-17-7-9-20(10-8-17)22-23-21(26-24-22)16-25-13-11-19(12-14-25)15-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3/p+1