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

Systemtic Name: (E)-3-(3-methoxy-4-propan-2-yloxy-phenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]prop-2-enamide Openeye Name: (E)-3-(4-isopropoxy-3-methoxy-phenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]prop-2-enamide CAS Name: (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-2-propenamide IUPAC Name: (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]prop-2-enamide Traditional Name: (E)-3-(4-isopropoxy-3-methoxy-phenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]acrylamide Formula: C23H31N2O4S+ MolecularWeight: 431.56824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C=CC(=O)NCC(C2=CC=CS2)[NH+]3CCOCC3)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)/C=C/C(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCOCC3)OC

InChI

InChI=1S/C23H30N2O4S/c1-17(2)29-20-8-6-18(15-21(20)27-3)7-9-23(26)24-16-19(22-5-4-14-30-22)25-10-12-28-13-11-25/h4-9,14-15,17,19H,10-13,16H2,1-3H3,(H,24,26)/p+1/b9-7+/t19-/m0/s1