5-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-3-(phenylmethyl)-1,2,4-oxadiazole

Systemtic Name: 5-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-3-(phenylmethyl)-1,2,4-oxadiazole Openeye Name: 3-benzyl-5-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 5-[(4-phenethyl-1-piperidin-1-iumyl)methyl]-3-(phenylmethyl)-1,2,4-oxadiazole IUPAC Name: 3-benzyl-5-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-benzyl-5-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Formula: C23H28N3O+ MolecularWeight: 362.48792

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC2=CC=CC=C2)CC3=NC(=NO3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1CCC2=CC=CC=C2)CC3=NC(=NO3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O/c1-3-7-19(8-4-1)11-12-20-13-15-26(16-14-20)18-23-24-22(25-27-23)17-21-9-5-2-6-10-21/h1-10,20H,11-18H2/p+1