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

Systemtic Name: phenyl-[5-[1-(phenylmethyl)piperidin-1-ium-1-yl]-1,2,4-oxadiazol-3-yl]methanone Openeye Name: [5-(1-benzylpiperidin-1-ium-1-yl)-1,2,4-oxadiazol-3-yl]-phenyl-methanone CAS Name: phenyl-[5-[1-(phenylmethyl)-1-piperidin-1-iumyl]-1,2,4-oxadiazol-3-yl]methanone IUPAC Name: [5-(1-benzylpiperidin-1-ium-1-yl)-1,2,4-oxadiazol-3-yl]-phenylmethanone Traditional Name: [5-(1-benzylpiperidin-1-ium-1-yl)-1,2,4-oxadiazol-3-yl]-phenyl-methanone Formula: C21H22N3O2+ MolecularWeight: 348.41828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N3O2/c25-19(18-12-6-2-7-13-18)20-22-21(26-23-20)24(14-8-3-9-15-24)16-17-10-4-1-5-11-17/h1-2,4-7,10-13H,3,8-9,14-16H2/q+1