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

Systemtic Name: 3-(3-methylphenyl)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-(m-tolyl)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-(3-methylphenyl)-5-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,2,4-oxadiazole IUPAC Name: 3-(3-methylphenyl)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-(m-tolyl)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Formula: C20H23N4O+ MolecularWeight: 335.42282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O/c1-16-6-5-7-17(14-16)20-21-19(25-22-20)15-23-10-12-24(13-11-23)18-8-3-2-4-9-18/h2-9,14H,10-13,15H2,1H3/p+1