(2-morpholin-4-ium-4-yl-1-phenyl-ethyl) (E)-3-phenylprop-2-enoate chloride

Systemtic Name: (2-morpholin-4-ium-4-yl-1-phenyl-ethyl) (E)-3-phenylprop-2-enoate chloride Openeye Name: (2-morpholin-4-ium-4-yl-1-phenyl-ethyl) (E)-3-phenylprop-2-enoate chloride CAS Name: (E)-3-phenyl-2-propenoic acid [2-(4-morpholin-4-iumyl)-1-phenylethyl] ester chloride IUPAC Name: (2-morpholin-4-ium-4-yl-1-phenylethyl) (E)-3-phenylprop-2-enoate chloride Traditional Name: (E)-3-phenylacrylic acid (2-morpholin-4-ium-4-yl-1-phenyl-ethyl) ester chloride Formula: C21H24ClNO3 MolecularWeight: 373.87316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(C2=CC=CC=C2)OC(=O)C=CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1COCC[NH+]1CC(C2=CC=CC=C2)OC(=O)/C=C/C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H23NO3.ClH/c23-21(12-11-18-7-3-1-4-8-18)25-20(19-9-5-2-6-10-19)17-22-13-15-24-16-14-22;/h1-12,20H,13-17H2;1H/b12-11+;