1-(4-methylpiperazin-4-ium-1-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-one

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-one Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-one CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-butanone IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-one Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-one Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O2/c1-20-10-12-21(13-11-20)16(22)9-5-8-15-18-17(19-23-15)14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3/p+1