N-[(2R)-4-phenylbutan-2-yl]-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide

Systemtic Name: N-[(2R)-4-phenylbutan-2-yl]-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Openeye Name: N-[(1R)-1-methyl-3-phenyl-propyl]-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide CAS Name: N-[(2R)-4-phenylbutan-2-yl]-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinecarboxamide IUPAC Name: N-[(2R)-4-phenylbutan-2-yl]-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Traditional Name: N-[(1R)-1-methyl-3-phenyl-propyl]-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Formula: C21H26F3N4O+ MolecularWeight: 407.45255

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H25F3N4O/c1-16(7-8-17-5-3-2-4-6-17)26-20(29)28-13-11-27(12-14-28)19-10-9-18(15-25-19)21(22,23)24/h2-6,9-10,15-16H,7-8,11-14H2,1H3,(H,26,29)/p+1/t16-/m1/s1