5-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole

Systemtic Name: 5-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole Openeye Name: 5-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole CAS Name: 5-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-3-(2-pyrazinyl)-1,2,4-oxadiazole IUPAC Name: 5-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole Traditional Name: 5-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole Formula: C24H25N6O+ MolecularWeight: 413.4949

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=NC=CN=C3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=NC=CN=C3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H24N6O/c1-3-7-19(8-4-1)23(20-9-5-2-6-10-20)30-15-13-29(14-16-30)18-22-27-24(28-31-22)21-17-25-11-12-26-21/h1-12,17,23H,13-16,18H2/p+1