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

Systemtic Name: 3-(3-methylphenyl)-5-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 5-[(4-benzylpiperazin-1-ium-1-yl)methyl]-3-(m-tolyl)-1,2,4-oxadiazole CAS Name: 3-(3-methylphenyl)-5-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 5-[(4-benzylpiperazin-1-ium-1-yl)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole Traditional Name: 5-[(4-benzylpiperazin-1-ium-1-yl)methyl]-3-(m-tolyl)-1,2,4-oxadiazole Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

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