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

Systemtic Name: 2-(4-nitrophenyl)-5-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-1,3,4-oxadiazole Openeye Name: 2-(4-nitrophenyl)-5-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-1,3,4-oxadiazole CAS Name: 2-(4-nitrophenyl)-5-[(4-phenethyl-1-piperidin-1-iumyl)methyl]-1,3,4-oxadiazole IUPAC Name: 2-(4-nitrophenyl)-5-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-1,3,4-oxadiazole Traditional Name: 2-(4-nitrophenyl)-5-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-1,3,4-oxadiazole Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC2=CC=CC=C2)CC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1CCC2=CC=CC=C2)CC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O3/c27-26(28)20-10-8-19(9-11-20)22-24-23-21(29-22)16-25-14-12-18(13-15-25)7-6-17-4-2-1-3-5-17/h1-5,8-11,18H,6-7,12-16H2/p+1