[4-[(2E)-2-(1,1-dimethylquinolin-1-ium-2-ylidene)-1-phenyl-ethyl]phenyl]-trimethyl-azanium diiodide

Systemtic Name: [4-[(2E)-2-(1,1-dimethylquinolin-1-ium-2-ylidene)-1-phenyl-ethyl]phenyl]-trimethyl-azanium diiodide Openeye Name: [4-[(2E)-2-(1,1-dimethylquinolin-1-ium-2-ylidene)-1-phenyl-ethyl]phenyl]-trimethyl-ammonium diiodide CAS Name: [4-[(2E)-2-(1,1-dimethyl-2-quinolin-1-iumylidene)-1-phenylethyl]phenyl]-trimethylammonium diiodide IUPAC Name: [4-[(2E)-2-(1,1-dimethylquinolin-1-ium-2-ylidene)-1-phenylethyl]phenyl]-trimethylazanium diiodide Traditional Name: [4-[(2E)-2-(1,1-dimethylquinolin-1-ium-2-ylidene)-1-phenyl-ethyl]phenyl]-trimethyl-ammonium diiodide Formula: C28H32I2N2 MolecularWeight: 650.37602

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=CC(C2=CC=CC=C2)C3=CC=C(C=C3)[N+](C)(C)C)C=CC4=CC=CC=C41)C.[I-].[I-]

Isomeric SMILES

C[N+]1(/C(=C/C(C2=CC=CC=C2)C3=CC=C(C=C3)[N+](C)(C)C)/C=CC4=CC=CC=C41)C.[I-].[I-]

InChI

InChI=1S/C28H32N2.2HI/c1-29(2,3)25-18-15-23(16-19-25)27(22-11-7-6-8-12-22)21-26-20-17-24-13-9-10-14-28(24)30(26,4)5;;/h6-21,27H,1-5H3;2*1H/q+2;;/p-2/b26-21+;;