5-[[(3S)-4-methyl-3-phenyl-piperazin-1-ium-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole

Systemtic Name: 5-[[(3S)-4-methyl-3-phenyl-piperazin-1-ium-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole Openeye Name: 5-[[(3S)-4-methyl-3-phenyl-piperazin-1-ium-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole CAS Name: 5-[[(3S)-4-methyl-3-phenyl-1-piperazin-1-iumyl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole IUPAC Name: 5-[[(3S)-4-methyl-3-phenylpiperazin-1-ium-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole Traditional Name: 5-[[(3S)-4-methyl-3-phenyl-piperazin-1-ium-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole Formula: C21H25N4O2+ MolecularWeight: 365.4488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1C2=CC=CC=C2)CC3=NC(=NO3)COC4=CC=CC=C4

Isomeric SMILES

CN1CC[NH+](C[C@@H]1C2=CC=CC=C2)CC3=NC(=NO3)COC4=CC=CC=C4

InChI

InChI=1S/C21H24N4O2/c1-24-12-13-25(14-19(24)17-8-4-2-5-9-17)15-21-22-20(23-27-21)16-26-18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3/p+1/t19-/m1/s1