(E)-3-(3-fluoranyl-4-methoxy-phenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]prop-2-enamide

Systemtic Name: (E)-3-(3-fluoranyl-4-methoxy-phenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]prop-2-enamide Openeye Name: (E)-3-(3-fluoro-4-methoxy-phenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]prop-2-enamide CAS Name: (E)-3-(3-fluoro-4-methoxyphenyl)-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-2-propenamide IUPAC Name: (E)-3-(3-fluoro-4-methoxyphenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]prop-2-enamide Traditional Name: (E)-3-(3-fluoro-4-methoxy-phenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]acrylamide Formula: C19H28FN2O2+ MolecularWeight: 335.436223

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C=CC2=CC(=C(C=C2)OC)F

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)/C=C/C2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C19H27FN2O2/c1-15-6-3-4-12-22(15)13-5-11-21-19(23)10-8-16-7-9-18(24-2)17(20)14-16/h7-10,14-15H,3-6,11-13H2,1-2H3,(H,21,23)/p+1/b10-8+/t15-/m0/s1