3-(diphenylmethyl)-5-[[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(diphenylmethyl)-5-[[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-benzhydryl-5-[[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(diphenylmethyl)-5-[[4-(6-methyl-2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-benzhydryl-5-[[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-benzhydryl-5-[[4-(6-methylpyridin-1-ium-2-yl)piperazino]methyl]-1,2,4-oxadiazole Formula: C26H28N5O+ MolecularWeight: 426.53342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)N2CCN(CC2)CC3=NC(=NO3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=[NH+]C(=CC=C1)N2CCN(CC2)CC3=NC(=NO3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H27N5O/c1-20-9-8-14-23(27-20)31-17-15-30(16-18-31)19-24-28-26(29-32-24)25(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-14,25H,15-19H2,1H3/p+1