(E)-3-(3,5-dimethoxyphenyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]prop-2-enamide

Systemtic Name: (E)-3-(3,5-dimethoxyphenyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]prop-2-enamide Openeye Name: (E)-3-(3,5-dimethoxyphenyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]prop-2-enamide CAS Name: (E)-3-(3,5-dimethoxyphenyl)-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-2-propenamide IUPAC Name: (E)-3-(3,5-dimethoxyphenyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]prop-2-enamide Traditional Name: (E)-3-(3,5-dimethoxyphenyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]acrylamide Formula: C23H29N2O4+ MolecularWeight: 397.48736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C=CC(=O)NC(C[NH+]2CCOCC2)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)/C=C/C(=O)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3)OC

InChI

InChI=1S/C23H28N2O4/c1-27-20-14-18(15-21(16-20)28-2)8-9-23(26)24-22(19-6-4-3-5-7-19)17-25-10-12-29-13-11-25/h3-9,14-16,22H,10-13,17H2,1-2H3,(H,24,26)/p+1/b9-8+/t22-/m1/s1