N-(3-chlorophenyl)-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide

Systemtic Name: N-(3-chlorophenyl)-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Openeye Name: N-(3-chlorophenyl)-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide CAS Name: N-(3-chlorophenyl)-4-[3-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinecarboxamide IUPAC Name: N-(3-chlorophenyl)-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Traditional Name: N-(3-chlorophenyl)-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Formula: C17H17ClF3N4O+ MolecularWeight: 385.79129

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=[NH+]2)C(F)(F)F)C(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=[NH+]2)C(F)(F)F)C(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H16ClF3N4O/c18-12-3-1-4-13(11-12)23-16(26)25-9-7-24(8-10-25)15-14(17(19,20)21)5-2-6-22-15/h1-6,11H,7-10H2,(H,23,26)/p+1