N-[(1R)-3-methyl-1-phenyl-butyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide

Systemtic Name: N-[(1R)-3-methyl-1-phenyl-butyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-[(1R)-3-methyl-1-phenyl-butyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-[(1R)-3-methyl-1-phenylbutyl]-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-[(1R)-3-methyl-1-phenylbutyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-[(1R)-3-methyl-1-phenyl-butyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C23H29F3N3O+ MolecularWeight: 420.49107

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)C[C@H](C1=CC=CC=C1)NC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C23H28F3N3O/c1-16(2)14-20(17-6-4-3-5-7-17)28-22(30)18-10-12-29(13-11-18)21-9-8-19(15-27-21)23(24,25)26/h3-9,15-16,18,20H,10-14H2,1-2H3,(H,28,30)/p+1/t20-/m1/s1