3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Formula: C17H23N4O3+ MolecularWeight: 331.38952

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCC2=NC(=NO2)C3=CC=CC=C3OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCC2=NC(=NO2)C3=CC=CC=C3OC

InChI

InChI=1S/C17H22N4O3/c1-20-9-11-21(12-10-20)16(22)8-7-15-18-17(19-24-15)13-5-3-4-6-14(13)23-2/h3-6H,7-12H2,1-2H3/p+1