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

Systemtic Name: 1-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[(3-o-phenetyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]ethanone Formula: C17H23N4O3+ MolecularWeight: 331.38952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3/c1-3-23-15-7-5-4-6-14(15)17-18-16(24-19-17)12-20-8-10-21(11-9-20)13(2)22/h4-7H,3,8-12H2,1-2H3/p+1