1-adamantyl-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 1-adamantyl-[4-[[5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: 1-adamantyl-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1-adamantyl-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 1-adamantyl-[4-[[5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-4-ium-1-yl]methanone Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NO2)C[NH+]3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NO2)C[NH+]3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H32N4O2/c1-17-2-4-21(5-3-17)23-26-22(27-31-23)16-28-6-8-29(9-7-28)24(30)25-13-18-10-19(14-25)12-20(11-18)15-25/h2-5,18-20H,6-16H2,1H3/p+1