diphenyl-[5-[1-(phenylmethyl)piperidin-1-ium-1-yl]-1,2,4-oxadiazol-3-yl]methanol

Systemtic Name: diphenyl-[5-[1-(phenylmethyl)piperidin-1-ium-1-yl]-1,2,4-oxadiazol-3-yl]methanol Openeye Name: [5-(1-benzylpiperidin-1-ium-1-yl)-1,2,4-oxadiazol-3-yl]-diphenyl-methanol CAS Name: diphenyl-[5-[1-(phenylmethyl)-1-piperidin-1-iumyl]-1,2,4-oxadiazol-3-yl]methanol IUPAC Name: [5-(1-benzylpiperidin-1-ium-1-yl)-1,2,4-oxadiazol-3-yl]-diphenylmethanol Traditional Name: [5-(1-benzylpiperidin-1-ium-1-yl)-1,2,4-oxadiazol-3-yl]-diphenyl-methanol Formula: C27H28N3O2+ MolecularWeight: 426.53012

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CC2=CC=CC=C2)C3=NC(=NO3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O

Isomeric SMILES

C1CC[N+](CC1)(CC2=CC=CC=C2)C3=NC(=NO3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O

InChI

InChI=1S/C27H28N3O2/c31-27(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-28-26(32-29-25)30(19-11-4-12-20-30)21-22-13-5-1-6-14-22/h1-3,5-10,13-18,31H,4,11-12,19-21H2/q+1