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

Systemtic Name: (E)-3-(3-fluoranyl-4-methoxy-phenyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]prop-2-enamide Openeye Name: (E)-3-(3-fluoro-4-methoxy-phenyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]prop-2-enamide CAS Name: (E)-3-(3-fluoro-4-methoxyphenyl)-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-2-propenamide IUPAC Name: (E)-3-(3-fluoro-4-methoxyphenyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]prop-2-enamide Traditional Name: (E)-3-(3-fluoro-4-methoxy-phenyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]acrylamide Formula: C22H26FN2O3+ MolecularWeight: 385.451843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC(C[NH+]2CCOCC2)C3=CC=CC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3)F

InChI

InChI=1S/C22H25FN2O3/c1-27-21-9-7-17(15-19(21)23)8-10-22(26)24-20(18-5-3-2-4-6-18)16-25-11-13-28-14-12-25/h2-10,15,20H,11-14,16H2,1H3,(H,24,26)/p+1/b10-8+/t20-/m1/s1