5-[[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole

Systemtic Name: 5-[[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Openeye Name: 5-[[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]methyl]-3-(2-thienyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(1-naphthalenylmethyl)-1-piperazin-1-iumyl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Traditional Name: 5-[[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]methyl]-3-(2-thienyl)-1,2,4-oxadiazole Formula: C22H23N4OS+ MolecularWeight: 391.50922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CS3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CS3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C22H22N4OS/c1-2-8-19-17(5-1)6-3-7-18(19)15-25-10-12-26(13-11-25)16-21-23-22(24-27-21)20-9-4-14-28-20/h1-9,14H,10-13,15-16H2/p+1