3-(diphenylmethyl)-5-[(4-pyridin-4-ylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(diphenylmethyl)-5-[(4-pyridin-4-ylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-benzhydryl-5-[[4-(4-pyridyl)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(diphenylmethyl)-5-[(4-pyridin-4-yl-1-piperidin-1-iumyl)methyl]-1,2,4-oxadiazole IUPAC Name: 3-benzhydryl-5-[(4-pyridin-4-ylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-benzhydryl-5-[[4-(4-pyridyl)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C26H27N4O+ MolecularWeight: 411.51878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC=NC=C2)CC3=NC(=NO3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C2=CC=NC=C2)CC3=NC(=NO3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H26N4O/c1-3-7-22(8-4-1)25(23-9-5-2-6-10-23)26-28-24(31-29-26)19-30-17-13-21(14-18-30)20-11-15-27-16-12-20/h1-12,15-16,21,25H,13-14,17-19H2/p+1