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

Systemtic Name: N-(3-chlorophenyl)-4-[4-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Openeye Name: N-(3-chlorophenyl)-4-[4-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide CAS Name: N-(3-chlorophenyl)-4-[4-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinecarboxamide IUPAC Name: N-(3-chlorophenyl)-4-[4-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Traditional Name: N-(3-chlorophenyl)-4-[4-(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=[NH+]C=CC(=C2)C(F)(F)F)C(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=CC(=C2)C(F)(F)F)C(=O)NC3=CC(=CC=C3)Cl

InChI

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