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

Systemtic Name: 3-(2-methylphenyl)-5-[[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 5-[[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]methyl]-3-(o-tolyl)-1,2,4-oxadiazole CAS Name: 3-(2-methylphenyl)-5-[[4-(1-naphthalenylmethyl)-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(2-methylphenyl)-5-[[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 5-[[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]methyl]-3-(o-tolyl)-1,2,4-oxadiazole Formula: C25H27N4O+ MolecularWeight: 399.50808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=N2)C[NH+]3CCN(CC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)C[NH+]3CCN(CC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H26N4O/c1-19-7-2-4-11-22(19)25-26-24(30-27-25)18-29-15-13-28(14-16-29)17-21-10-6-9-20-8-3-5-12-23(20)21/h2-12H,13-18H2,1H3/p+1