cyclohexyl-methyl-[[6-oxidanylidene-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-1H-pyridin-2-yl]methyl]azanium

Systemtic Name: cyclohexyl-methyl-[[6-oxidanylidene-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-1H-pyridin-2-yl]methyl]azanium Openeye Name: cyclohexyl-methyl-[[6-oxo-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-1H-pyridin-2-yl]methyl]ammonium CAS Name: cyclohexyl-methyl-[[6-oxo-5-[oxo-[[3-(trifluoromethyl)phenyl]methylamino]methyl]-1H-pyridin-2-yl]methyl]ammonium IUPAC Name: cyclohexyl-methyl-[[6-oxo-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-1H-pyridin-2-yl]methyl]azanium Traditional Name: cyclohexyl-[[6-keto-5-[[3-(trifluoromethyl)benzyl]carbamoyl]-1H-pyridin-2-yl]methyl]-methyl-ammonium Formula: C22H27F3N3O2+ MolecularWeight: 422.46389

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C(=O)N1)C(=O)NCC2=CC(=CC=C2)C(F)(F)F)C3CCCCC3

Isomeric SMILES

C[NH+](CC1=CC=C(C(=O)N1)C(=O)NCC2=CC(=CC=C2)C(F)(F)F)C3CCCCC3

InChI

InChI=1S/C22H26F3N3O2/c1-28(18-8-3-2-4-9-18)14-17-10-11-19(21(30)27-17)20(29)26-13-15-6-5-7-16(12-15)22(23,24)25/h5-7,10-12,18H,2-4,8-9,13-14H2,1H3,(H,26,29)(H,27,30)/p+1