N-[(1R)-2-methyl-1-thiophen-2-yl-propyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide

Systemtic Name: N-[(1R)-2-methyl-1-thiophen-2-yl-propyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-[(1R)-2-methyl-1-(2-thienyl)propyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-[(1R)-2-methyl-1-(2-thienyl)propyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C20H25F3N3OS+ MolecularWeight: 412.49221

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CS1)NC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)[C@H](C1=CC=CS1)NC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H24F3N3OS/c1-13(2)18(16-4-3-11-28-16)25-19(27)14-7-9-26(10-8-14)17-6-5-15(12-24-17)20(21,22)23/h3-6,11-14,18H,7-10H2,1-2H3,(H,25,27)/p+1/t18-/m1/s1