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

Systemtic Name: (E)-3-(3-fluoranyl-4-methoxy-phenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]prop-2-enamide Openeye Name: (E)-3-(3-fluoro-4-methoxy-phenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]prop-2-enamide CAS Name: (E)-3-(3-fluoro-4-methoxyphenyl)-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-2-propenamide IUPAC Name: (E)-3-(3-fluoro-4-methoxyphenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]prop-2-enamide Traditional Name: (E)-3-(3-fluoro-4-methoxy-phenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]acrylamide Formula: C20H24FN2O3S+ MolecularWeight: 391.479563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NCC(C2=CC=CS2)[NH+]3CCOCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCOCC3)F

InChI

InChI=1S/C20H23FN2O3S/c1-25-18-6-4-15(13-16(18)21)5-7-20(24)22-14-17(19-3-2-12-27-19)23-8-10-26-11-9-23/h2-7,12-13,17H,8-11,14H2,1H3,(H,22,24)/p+1/b7-5+/t17-/m0/s1