[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2/c1-2-17-8-10-18(11-9-17)21-23-20(28-24-21)16-25-12-14-26(15-13-25)22(27)19-6-4-3-5-7-19/h3-11H,2,12-16H2,1H3/p+1