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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinecarboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Formula: C18H19ClF3N4O2+ MolecularWeight: 415.81727

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)C(F)(F)F

InChI

InChI=1S/C18H18ClF3N4O2/c1-28-15-5-4-12(19)11-14(15)24-17(27)26-9-7-25(8-10-26)16-13(18(20,21)22)3-2-6-23-16/h2-6,11H,7-10H2,1H3,(H,24,27)/p+1