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

Systemtic Name: (E)-3-(3-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-(m-tolyl)prop-2-enamide CAS Name: (E)-3-(3-methylphenyl)-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-2-propenamide IUPAC Name: (E)-3-(3-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-(m-tolyl)acrylamide Formula: C22H27N2O2+ MolecularWeight: 351.46198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=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/c1-18-6-5-7-19(16-18)10-11-22(25)23-21(20-8-3-2-4-9-20)17-24-12-14-26-15-13-24/h2-11,16,21H,12-15,17H2,1H3,(H,23,25)/p+1/b11-10+/t21-/m1/s1