[(2S)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-2-phenylethyl]-dimethylazanium Traditional Name: dimethyl-[(2S)-2-phenyl-2-[[(E)-3-p-phenetylacryloyl]amino]ethyl]ammonium Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(C[NH+](C)C)C2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)N[C@H](C[NH+](C)C)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O2/c1-4-25-19-13-10-17(11-14-19)12-15-21(24)22-20(16-23(2)3)18-8-6-5-7-9-18/h5-15,20H,4,16H2,1-3H3,(H,22,24)/p+1/b15-12+/t20-/m1/s1