2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]-N-phenyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]-N-phenyl-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]-N-isopropyl-N-phenyl-acetamide CAS Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]-N-phenyl-N-propan-2-ylacetamide IUPAC Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]-N-phenyl-N-propan-2-ylacetamide Traditional Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]-N-isopropyl-N-phenyl-acetamide Formula: C21H25ClF3N4O+ MolecularWeight: 441.89761

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)C[NH+]2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)C[NH+]2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C21H24ClF3N4O/c1-15(2)29(17-6-4-3-5-7-17)19(30)14-27-8-10-28(11-9-27)20-18(22)12-16(13-26-20)21(23,24)25/h3-7,12-13,15H,8-11,14H2,1-2H3/p+1