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

Systemtic Name: (E)-3-(2,4-dimethylphenyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]prop-2-enamide Openeye Name: (E)-3-(2,4-dimethylphenyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]prop-2-enamide CAS Name: (E)-3-(2,4-dimethylphenyl)-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-2-propenamide IUPAC Name: (E)-3-(2,4-dimethylphenyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]prop-2-enamide Traditional Name: (E)-3-(2,4-dimethylphenyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]acrylamide Formula: C23H29N2O2+ MolecularWeight: 365.48856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)NC(C[NH+]2CCOCC2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3)C

InChI

InChI=1S/C23H28N2O2/c1-18-8-9-20(19(2)16-18)10-11-23(26)24-22(21-6-4-3-5-7-21)17-25-12-14-27-15-13-25/h3-11,16,22H,12-15,17H2,1-2H3,(H,24,26)/p+1/b11-10+/t22-/m1/s1