5-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole

Systemtic Name: 5-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-[[4-(2-methoxy-5-methyl-benzyl)piperazine-1,4-diium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Formula: C22H28N4O2+2 MolecularWeight: 380.48332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O2/c1-17-8-9-20(27-2)19(14-17)15-25-10-12-26(13-11-25)16-21-23-22(24-28-21)18-6-4-3-5-7-18/h3-9,14H,10-13,15-16H2,1-2H3/p+2