trimethyl-[4-[(E)-3-oxidanylidene-3-(2-phenylmethoxyphenyl)prop-1-enyl]phenyl]azanium iodide

Systemtic Name: trimethyl-[4-[(E)-3-oxidanylidene-3-(2-phenylmethoxyphenyl)prop-1-enyl]phenyl]azanium iodide Openeye Name: [4-[(E)-3-(2-benzyloxyphenyl)-3-oxo-prop-1-enyl]phenyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[4-[(E)-3-oxo-3-(2-phenylmethoxyphenyl)prop-1-enyl]phenyl]ammonium iodide IUPAC Name: trimethyl-[4-[(E)-3-oxo-3-(2-phenylmethoxyphenyl)prop-1-enyl]phenyl]azanium iodide Traditional Name: [4-[(E)-3-(2-benzoxyphenyl)-3-keto-prop-1-enyl]phenyl]-trimethyl-ammonium iodide Formula: C25H26INO2 MolecularWeight: 499.38391

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2OCC3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2OCC3=CC=CC=C3.[I-]

InChI

InChI=1S/C25H26NO2.HI/c1-26(2,3)22-16-13-20(14-17-22)15-18-24(27)23-11-7-8-12-25(23)28-19-21-9-5-4-6-10-21;/h4-18H,19H2,1-3H3;1H/q+1;/p-1/b18-15+;