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

Systemtic Name: 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-4-ium-1-yl)butan-1-one Openeye Name: 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-4-ium-1-yl)butan-1-one CAS Name: 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methyl-1-piperazin-4-iumyl)-1-butanone IUPAC Name: 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-4-ium-1-yl)butan-1-one Traditional Name: 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-4-ium-1-yl)butan-1-one Formula: C17H22ClN4O2+ MolecularWeight: 349.83518

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCCC2=NC(=NO2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCCC2=NC(=NO2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H21ClN4O2/c1-21-9-11-22(12-10-21)16(23)4-2-3-15-19-17(20-24-15)13-5-7-14(18)8-6-13/h5-8H,2-4,9-12H2,1H3/p+1