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

Systemtic Name: 4-[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]phenol Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2/c1-2-16-3-5-17(6-4-16)21-22-20(27-23-21)15-24-11-13-25(14-12-24)18-7-9-19(26)10-8-18/h3-10,26H,2,11-15H2,1H3/p+1