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

Systemtic Name: (E)-3-(2-methoxy-5-methyl-phenyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]prop-2-enamide Openeye Name: (E)-3-(2-methoxy-5-methyl-phenyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]prop-2-enamide CAS Name: (E)-3-(2-methoxy-5-methylphenyl)-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-2-propenamide IUPAC Name: (E)-3-(2-methoxy-5-methylphenyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]prop-2-enamide Traditional Name: (E)-3-(2-methoxy-5-methyl-phenyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]acrylamide Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3/c1-18-8-10-22(27-2)20(16-18)9-11-23(26)24-21(19-6-4-3-5-7-19)17-25-12-14-28-15-13-25/h3-11,16,21H,12-15,17H2,1-2H3,(H,24,26)/p+1/b11-9+/t21-/m1/s1