7-ethyl-4-[[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 7-ethyl-4-[[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-ethyl-4-[[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-ethyl-4-[[(3R)-3-(trifluoromethyl)-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-ethyl-4-[[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]coumarin Formula: C18H21F3NO2+ MolecularWeight: 340.36005

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCC(C3)C(F)(F)F

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC[C@H](C3)C(F)(F)F

InChI

InChI=1S/C18H20F3NO2/c1-2-12-5-6-15-13(9-17(23)24-16(15)8-12)10-22-7-3-4-14(11-22)18(19,20)21/h5-6,8-9,14H,2-4,7,10-11H2,1H3/p+1/t14-/m1/s1