[(2S)-2-[[(E)-3-(2-methoxy-5-methyl-phenyl)prop-2-enoyl]amino]-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-[[(E)-3-(2-methoxy-5-methyl-phenyl)prop-2-enoyl]amino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-[[(E)-3-(2-methoxy-5-methyl-phenyl)prop-2-enoyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-[[(E)-3-(2-methoxy-5-methylphenyl)-1-oxoprop-2-enyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]-2-phenylethyl]-dimethylazanium Traditional Name: [(2S)-2-[[(E)-3-(2-methoxy-5-methyl-phenyl)acryloyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C=CC(=O)NC(C[NH+](C)C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)OC)/C=C/C(=O)N[C@H](C[NH+](C)C)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O2/c1-16-10-12-20(25-4)18(14-16)11-13-21(24)22-19(15-23(2)3)17-8-6-5-7-9-17/h5-14,19H,15H2,1-4H3,(H,22,24)/p+1/b13-11+/t19-/m1/s1