1-methyl-4-oxidanylidene-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]quinoline-3-carboxamide

Systemtic Name: 1-methyl-4-oxidanylidene-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]quinoline-3-carboxamide Openeye Name: 1-methyl-4-oxo-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-3-piperidyl]quinoline-3-carboxamide CAS Name: 1-methyl-4-oxo-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-3-piperidinyl]-3-quinolinecarboxamide IUPAC Name: 1-methyl-4-oxo-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]quinoline-3-carboxamide Traditional Name: 4-keto-1-methyl-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-3-piperidyl]quinoline-3-carboxamide Formula: C22H22F3N4O2+ MolecularWeight: 431.43089

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=CC=CC=C21)C(=O)NC3CCCN(C3)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

CN1C=C(C(=O)C2=CC=CC=C21)C(=O)N[C@H]3CCCN(C3)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H21F3N4O2/c1-28-13-17(20(30)16-6-2-3-7-18(16)28)21(31)27-15-5-4-10-29(12-15)19-9-8-14(11-26-19)22(23,24)25/h2-3,6-9,11,13,15H,4-5,10,12H2,1H3,(H,27,31)/p+1/t15-/m0/s1