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

Systemtic Name: trimethyl-[(2R)-4-oxidanylidene-2-[(E)-4-phenylbut-3-enoyl]oxy-4-phenylmethoxy-butyl]azanium chloride Openeye Name: [(2R)-4-benzyloxy-4-oxo-2-[(E)-4-phenylbut-3-enoyl]oxy-butyl]-trimethyl-ammonium chloride CAS Name: trimethyl-[(2R)-4-oxo-2-[(E)-1-oxo-4-phenylbut-3-enoxy]-4-phenylmethoxybutyl]ammonium chloride IUPAC Name: trimethyl-[(2R)-4-oxo-2-[(E)-4-phenylbut-3-enoyl]oxy-4-phenylmethoxybutyl]azanium chloride Traditional Name: [(2R)-4-benzoxy-4-keto-2-[(E)-4-phenylbut-3-enoyl]oxy-butyl]-trimethyl-ammonium chloride Formula: C24H30ClNO4 MolecularWeight: 431.9523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30NO4.ClH/c1-25(2,3)18-22(17-24(27)28-19-21-13-8-5-9-14-21)29-23(26)16-10-15-20-11-6-4-7-12-20;/h4-15,22H,16-19H2,1-3H3;1H/q+1;/p-1/b15-10+;/t22-;/m1./s1