N-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-pyridin-1-iumyl)-1-piperazinecarboxamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-pyridin-1-ium-2-ylpiperazine-1-carboxamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-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=CC=CC=[NH+]2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

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

InChI

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