trimethyl-[(2R)-4-oxidanylidene-4-phenylmethoxy-2-[(E)-3-phenylprop-2-enoyl]oxy-butyl]azanium chloride

Systemtic Name: trimethyl-[(2R)-4-oxidanylidene-4-phenylmethoxy-2-[(E)-3-phenylprop-2-enoyl]oxy-butyl]azanium chloride Openeye Name: [(2R)-4-benzyloxy-4-oxo-2-[(E)-3-phenylprop-2-enoyl]oxy-butyl]-trimethyl-ammonium chloride CAS Name: trimethyl-[(2R)-4-oxo-2-[(E)-1-oxo-3-phenylprop-2-enoxy]-4-phenylmethoxybutyl]ammonium chloride IUPAC Name: trimethyl-[(2R)-4-oxo-4-phenylmethoxy-2-[(E)-3-phenylprop-2-enoyl]oxybutyl]azanium chloride Traditional Name: [(2R)-4-benzoxy-4-keto-2-[(E)-3-phenylacryloyl]oxy-butyl]-trimethyl-ammonium chloride Formula: C23H28ClNO4 MolecularWeight: 417.92572

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)OCC1=CC=CC=C1)OC(=O)C=CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

C[N+](C)(C)C[C@@H](CC(=O)OCC1=CC=CC=C1)OC(=O)/C=C/C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C23H28NO4.ClH/c1-24(2,3)17-21(16-23(26)27-18-20-12-8-5-9-13-20)28-22(25)15-14-19-10-6-4-7-11-19;/h4-15,21H,16-18H2,1-3H3;1H/q+1;/p-1/b15-14+;/t21-;/m1./s1