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

Systemtic Name: (E)-3-(3-chloranyl-4-methyl-phenyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]prop-2-enamide Openeye Name: (E)-3-(3-chloro-4-methyl-phenyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]prop-2-enamide CAS Name: (E)-3-(3-chloro-4-methylphenyl)-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-2-propenamide IUPAC Name: (E)-3-(3-chloro-4-methylphenyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]prop-2-enamide Traditional Name: (E)-3-(3-chloro-4-methyl-phenyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]acrylamide Formula: C22H26ClN2O2+ MolecularWeight: 385.90704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O2/c1-17-7-8-18(15-20(17)23)9-10-22(26)24-21(19-5-3-2-4-6-19)16-25-11-13-27-14-12-25/h2-10,15,21H,11-14,16H2,1H3,(H,24,26)/p+1/b10-9+/t21-/m1/s1