Molecule ID: 10231869

IUPAC Name: trimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzoxazol-2-ylidene)methyl]pyridin-1-ium-1-yl]propyl]azanium;diiodide

Description: The molecule is a cyanine dye and an organic iodide salt. It has a role as a fluorochrome. It contains a Po-Pro-1(2+).

SMILES: Cn1c(C=C2C=CN(CCC[N+](C)(C)C)C=C2)[o+]c2ccccc21.[I-].[I-]

SELFIES: [C][N][C][Branch2][Ring1][#Branch1][C][=C][C][=C][N][Branch1][N][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N][=O+1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1].[I-1].[I-1]

InChI: InChI=1S/C20H27N3O.2HI/c1-21-18-8-5-6-9-19(18)24-20(21)16-17-10-13-22(14-11-17)12-7-15-23(2,3)4;;/h5-6,8-11,13-14,16H,7,12,15H2,1-4H3;2*1H/q+2;;/p-2

Molecular Properties:
- Polar Surface Area: 16.4 Ų
- LogP: nan