(E)-3-(4-fluorophenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]prop-2-enamide

Systemtic Name: (E)-3-(4-fluorophenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]prop-2-enamide Openeye Name: (E)-3-(4-fluorophenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]prop-2-enamide CAS Name: (E)-3-(4-fluorophenyl)-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-2-propenamide IUPAC Name: (E)-3-(4-fluorophenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]prop-2-enamide Traditional Name: (E)-3-(4-fluorophenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]acrylamide Formula: C19H22FN2O2S+ MolecularWeight: 361.453583

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C=CC2=CC=C(C=C2)F)C3=CC=CS3

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)/C=C/C2=CC=C(C=C2)F)C3=CC=CS3

InChI

InChI=1S/C19H21FN2O2S/c20-16-6-3-15(4-7-16)5-8-19(23)21-14-17(18-2-1-13-25-18)22-9-11-24-12-10-22/h1-8,13,17H,9-12,14H2,(H,21,23)/p+1/b8-5+/t17-/m0/s1