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

Systemtic Name: (E)-3-(2-methylphenyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]prop-2-enamide Openeye Name: (E)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-(o-tolyl)prop-2-enamide CAS Name: (E)-3-(2-methylphenyl)-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-2-propenamide IUPAC Name: (E)-3-(2-methylphenyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]prop-2-enamide Traditional Name: (E)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-(o-tolyl)acrylamide Formula: C22H27N2O2+ MolecularWeight: 351.46198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)NC(C[NH+]2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O2/c1-18-7-5-6-8-19(18)11-12-22(25)23-21(20-9-3-2-4-10-20)17-24-13-15-26-16-14-24/h2-12,21H,13-17H2,1H3,(H,23,25)/p+1/b12-11+/t21-/m1/s1