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

Systemtic Name: 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylpiperazin-4-ium-1-yl)propanamide Openeye Name: 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylpiperazin-4-ium-1-yl)propanamide CAS Name: 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-1-piperazin-4-iumyl)propanamide IUPAC Name: 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylpiperazin-4-ium-1-yl)propanamide Traditional Name: 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylpiperazin-4-ium-1-yl)propionamide Formula: C16H21ClN5O2+ MolecularWeight: 350.82324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN5O2/c1-21-8-10-22(11-9-21)19-14(23)6-7-15-18-16(20-24-15)12-2-4-13(17)5-3-12/h2-5H,6-11H2,1H3,(H,19,23)/p+1