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

Systemtic Name: [4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[(3-o-phenetyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3/c1-2-28-19-11-7-6-10-18(19)21-23-20(29-24-21)16-25-12-14-26(15-13-25)22(27)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3/p+1