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

Systemtic Name: 2-piperazin-1-ium-1-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-piperazin-1-ium-1-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide CAS Name: 2-(1-piperazin-1-iumyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide IUPAC Name: 2-piperazin-1-ium-1-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide Traditional Name: 2-piperazin-1-ium-1-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide Formula: C15H21N6O+ MolecularWeight: 301.36684

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN1)CC(=O)NC2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

C1C[NH+](CCN1)CC(=O)NC2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C15H20N6O/c22-15(10-20-7-5-16-6-8-20)19-14-3-1-13(2-4-14)9-21-12-17-11-18-21/h1-4,11-12,16H,5-10H2,(H,19,22)/p+1