2-[3-[1,1-bis(4-methoxyphenyl)but-1-en-2-yl]-1H-indol-1-ium-1-yl]ethyl-trimethyl-azanium diiodide

Systemtic Name: 2-[3-[1,1-bis(4-methoxyphenyl)but-1-en-2-yl]-1H-indol-1-ium-1-yl]ethyl-trimethyl-azanium diiodide Openeye Name: 2-[3-[1-[bis(4-methoxyphenyl)methylene]propyl]-1H-indol-1-ium-1-yl]ethyl-trimethyl-ammonium diiodide CAS Name: 2-[3-[1,1-bis(4-methoxyphenyl)but-1-en-2-yl]-1H-indol-1-ium-1-yl]ethyl-trimethylammonium diiodide IUPAC Name: 2-[3-[1,1-bis(4-methoxyphenyl)but-1-en-2-yl]-1H-indol-1-ium-1-yl]ethyl-trimethylazanium diiodide Traditional Name: 2-[3-[1-ethyl-2,2-bis(4-methoxyphenyl)vinyl]-1H-indol-1-ium-1-yl]ethyl-trimethyl-ammonium diiodide Formula: C31H38I2N2O2 MolecularWeight: 724.45456

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC)C3=C[NH+](C4=CC=CC=C43)CC[N+](C)(C)C.[I-].[I-]

Isomeric SMILES

CCC(=C(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC)C3=C[NH+](C4=CC=CC=C43)CC[N+](C)(C)C.[I-].[I-]

InChI

InChI=1S/C31H37N2O2.2HI/c1-7-27(29-22-32(20-21-33(2,3)4)30-11-9-8-10-28(29)30)31(23-12-16-25(34-5)17-13-23)24-14-18-26(35-6)19-15-24;;/h8-19,22H,7,20-21H2,1-6H3;2*1H/q+1;;/p-1