N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide

Systemtic Name: N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide Openeye Name: N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide CAS Name: N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-6-(trifluoromethyl)-3-pyridinecarboxamide IUPAC Name: N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide Traditional Name: N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-6-(trifluoromethyl)nicotinamide Formula: C19H22F3N4O+ MolecularWeight: 379.39939

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C2=CN=C(C=C2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)C2=CN=C(C=C2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C19H21F3N4O/c20-19(21,22)17-7-6-15(14-24-17)18(27)23-8-9-25-10-12-26(13-11-25)16-4-2-1-3-5-16/h1-7,14H,8-13H2,(H,23,27)/p+1