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

Systemtic Name: 5-[[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-3-propyl-1,2,4-oxadiazole Openeye Name: 5-[[(2S)-2-methyl-4-(o-tolyl)piperazin-1-ium-1-yl]methyl]-3-propyl-1,2,4-oxadiazole CAS Name: 5-[[(2S)-2-methyl-4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]-3-propyl-1,2,4-oxadiazole IUPAC Name: 5-[[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-3-propyl-1,2,4-oxadiazole Traditional Name: 5-[[(2S)-2-methyl-4-(o-tolyl)piperazin-1-ium-1-yl]methyl]-3-propyl-1,2,4-oxadiazole Formula: C18H27N4O+ MolecularWeight: 315.43318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=N1)C[NH+]2CCN(CC2C)C3=CC=CC=C3C

Isomeric SMILES

CCCC1=NOC(=N1)C[NH+]2CCN(C[C@@H]2C)C3=CC=CC=C3C

InChI

InChI=1S/C18H26N4O/c1-4-7-17-19-18(23-20-17)13-21-10-11-22(12-15(21)3)16-9-6-5-8-14(16)2/h5-6,8-9,15H,4,7,10-13H2,1-3H3/p+1/t15-/m0/s1