(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]prop-2-enamide

Systemtic Name: (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]prop-2-enamide Openeye Name: (E)-3-(2-ethylbenzofuran-3-yl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]prop-2-enamide CAS Name: (E)-3-(2-ethyl-3-benzofuranyl)-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-2-propenamide IUPAC Name: (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]prop-2-enamide Traditional Name: (E)-3-(2-ethylbenzofuran-3-yl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]acrylamide Formula: C23H27N2O3S+ MolecularWeight: 411.53708

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)C=CC(=O)NCC(C3=CC=CS3)[NH+]4CCOCC4

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)/C=C/C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCOCC4

InChI

InChI=1S/C23H26N2O3S/c1-2-20-18(17-6-3-4-7-21(17)28-20)9-10-23(26)24-16-19(22-8-5-15-29-22)25-11-13-27-14-12-25/h3-10,15,19H,2,11-14,16H2,1H3,(H,24,26)/p+1/b10-9+/t19-/m0/s1