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

Systemtic Name: 4-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-[(3-o-phenetyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]phenol Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NOC(=N2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

CCOC1=CC=CC=C1C2=NOC(=N2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C21H24N4O3/c1-2-27-19-6-4-3-5-18(19)21-22-20(28-23-21)15-24-11-13-25(14-12-24)16-7-9-17(26)10-8-16/h3-10,26H,2,11-15H2,1H3/p+1