3-(3,4-dimethoxyphenyl)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide Openeye Name: 3-(3,4-dimethoxyphenyl)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide CAS Name: 3-(3,4-dimethoxyphenyl)-N-[3-(4-methyl-1-piperazin-4-iumyl)propyl]-1,2,4-oxadiazole-5-carboxamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide Traditional Name: 3-(3,4-dimethoxyphenyl)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide Formula: C19H28N5O4+ MolecularWeight: 390.45672

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCCNC(=O)C2=NC(=NO2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)CCCNC(=O)C2=NC(=NO2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C19H27N5O4/c1-23-9-11-24(12-10-23)8-4-7-20-18(25)19-21-17(22-28-19)14-5-6-15(26-2)16(13-14)27-3/h5-6,13H,4,7-12H2,1-3H3,(H,20,25)/p+1