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

Systemtic Name: 3-(4-methylphenyl)-5-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 5-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-(p-tolyl)-1,2,4-oxadiazole CAS Name: 3-(4-methylphenyl)-5-[(4-methyl-1-piperidin-1-iumyl)methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-methylphenyl)-5-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 5-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-(p-tolyl)-1,2,4-oxadiazole Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=NC(=NO2)C3=CC=C(C=C3)C

Isomeric SMILES

CC1CC[NH+](CC1)CC2=NC(=NO2)C3=CC=C(C=C3)C

InChI

InChI=1S/C16H21N3O/c1-12-3-5-14(6-4-12)16-17-15(20-18-16)11-19-9-7-13(2)8-10-19/h3-6,13H,7-11H2,1-2H3/p+1