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

Systemtic Name: 5-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-[[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-[[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Formula: C21H26N4O+2 MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4O/c1-17-7-5-6-10-19(17)15-24-11-13-25(14-12-24)16-20-22-21(23-26-20)18-8-3-2-4-9-18/h2-10H,11-16H2,1H3/p+2