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

Systemtic Name: phenyl-[5-[1-(phenylmethyl)piperidin-1-ium-1-yl]-1,2,4-oxadiazol-3-yl]-thiophen-2-yl-methanol Openeye Name: [5-(1-benzylpiperidin-1-ium-1-yl)-1,2,4-oxadiazol-3-yl]-phenyl-(2-thienyl)methanol CAS Name: phenyl-[5-[1-(phenylmethyl)-1-piperidin-1-iumyl]-1,2,4-oxadiazol-3-yl]-thiophen-2-ylmethanol IUPAC Name: [5-(1-benzylpiperidin-1-ium-1-yl)-1,2,4-oxadiazol-3-yl]-phenyl-thiophen-2-ylmethanol Traditional Name: [5-(1-benzylpiperidin-1-ium-1-yl)-1,2,4-oxadiazol-3-yl]-phenyl-(2-thienyl)methanol Formula: C25H26N3O2S+ MolecularWeight: 432.55784

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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=CS5)O

Isomeric SMILES

C1CC[N+](CC1)(CC2=CC=CC=C2)C3=NC(=NO3)C(C4=CC=CC=C4)(C5=CC=CS5)O

InChI

InChI=1S/C25H26N3O2S/c29-25(22-15-10-18-31-22,21-13-6-2-7-14-21)23-26-24(30-27-23)28(16-8-3-9-17-28)19-20-11-4-1-5-12-20/h1-2,4-7,10-15,18,29H,3,8-9,16-17,19H2/q+1