2-[4-(3-azanylpyrazin-2-yl)carbonylpiperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide

Systemtic Name: 2-[4-(3-azanylpyrazin-2-yl)carbonylpiperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-[4-(3-aminopyrazine-2-carbonyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[4-[(3-amino-2-pyrazinyl)-oxomethyl]-1-piperazin-1-iumyl]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-[4-(3-aminopyrazine-2-carbonyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-[4-(3-aminopyrazinoyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C18H20F3N6O3+ MolecularWeight: 425.38501

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC(F)(F)F)C(=O)C3=NC=CN=C3N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC(F)(F)F)C(=O)C3=NC=CN=C3N

InChI

InChI=1S/C18H19F3N6O3/c19-18(20,21)30-13-3-1-12(2-4-13)25-14(28)11-26-7-9-27(10-8-26)17(29)15-16(22)24-6-5-23-15/h1-6H,7-11H2,(H2,22,24)(H,25,28)/p+1