4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(3-chlorophenyl)piperazine-1-carboxamide

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(3-chlorophenyl)piperazine-1-carboxamide Openeye Name: N-(3-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide CAS Name: N-(3-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinecarboxamide IUPAC Name: N-(3-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Traditional Name: N-(3-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Formula: C17H16Cl2F3N4O+ MolecularWeight: 420.23635

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15Cl2F3N4O/c18-12-2-1-3-13(9-12)24-16(27)26-6-4-25(5-7-26)15-14(19)8-11(10-23-15)17(20,21)22/h1-3,8-10H,4-7H2,(H,24,27)/p+1