3-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]-N-cyclohexyl-propanamide

Systemtic Name: 3-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]-N-cyclohexyl-propanamide Openeye Name: 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]-N-cyclohexyl-propanamide CAS Name: 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]-N-cyclohexylpropanamide IUPAC Name: 3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]-N-cyclohexylpropanamide Traditional Name: 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]-N-cyclohexyl-propionamide Formula: C19H27ClF3N4O+ MolecularWeight: 419.89209

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CC[NH+]2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)CC[NH+]2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C19H26ClF3N4O/c20-16-12-14(19(21,22)23)13-24-18(16)27-10-8-26(9-11-27)7-6-17(28)25-15-4-2-1-3-5-15/h12-13,15H,1-11H2,(H,25,28)/p+1