[(1S)-2-[[(E)-3-(3-ethoxy-4-phenylmethoxy-phenyl)prop-2-enoyl]amino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[(E)-3-(3-ethoxy-4-phenylmethoxy-phenyl)prop-2-enoyl]amino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[(E)-3-(4-benzyloxy-3-ethoxy-phenyl)prop-2-enoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(E)-3-(3-ethoxy-4-phenylmethoxyphenyl)-1-oxoprop-2-enyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[(E)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[(E)-3-(4-benzoxy-3-ethoxy-phenyl)acryloyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C28H33N2O3+ MolecularWeight: 445.57322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)NCC(C2=CC=CC=C2)[NH+](C)C)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)NC[C@H](C2=CC=CC=C2)[NH+](C)C)OCC3=CC=CC=C3

InChI

InChI=1S/C28H32N2O3/c1-4-32-27-19-22(15-17-26(27)33-21-23-11-7-5-8-12-23)16-18-28(31)29-20-25(30(2)3)24-13-9-6-10-14-24/h5-19,25H,4,20-21H2,1-3H3,(H,29,31)/p+1/b18-16+/t25-/m1/s1