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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)CC2=NC(=NO2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCC(CC1)CC2=NC(=NO2)CC3=CC=CC=C3

InChI

InChI=1S/C16H21N3O/c1-19-9-7-14(8-10-19)12-16-17-15(18-20-16)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3/p+1