2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-2-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide Traditional Name: 2-keto-2-(4-methylpiperazin-4-ium-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide Formula: C16H21N6O2+ MolecularWeight: 329.37694

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(=O)NC2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C(=O)NC2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C16H20N6O2/c1-20-6-8-21(9-7-20)16(24)15(23)19-14-4-2-13(3-5-14)10-22-12-17-11-18-22/h2-5,11-12H,6-10H2,1H3,(H,19,23)/p+1