[2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-1-ium-2-yl-methanol chloride

Systemtic Name: [2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-1-ium-2-yl-methanol chloride Openeye Name: [2,8-bis(trifluoromethyl)-4-quinolyl]-piperidin-1-ium-2-yl-methanol chloride CAS Name: [2,8-bis(trifluoromethyl)-4-quinolinyl]-(2-piperidin-1-iumyl)methanol chloride IUPAC Name: [2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-1-ium-2-ylmethanol chloride Traditional Name: [2,8-bis(trifluoromethyl)-4-quinolyl]-piperidin-1-ium-2-yl-methanol chloride Formula: C17H17ClF6N2O MolecularWeight: 414.773099

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH2+]C(C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O.[Cl-]

Isomeric SMILES

C1CC[NH2+]C(C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O.[Cl-]

InChI

InChI=1S/C17H16F6N2O.ClH/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11;/h3-5,8,12,15,24,26H,1-2,6-7H2;1H