Molecule ID: 71296151

IUPAC Name: 3-[4-[(E,3E)-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]propane-1-sulfonate

Description: The molecule is a fluorogenic cyanine dye in which N-(3-sulfopropyl)quinolinium is linked to a 1,3,3-trimethyldihydroindole via a propan-1-yl-3-ylidene chain to form a conjugated system. It has a role as a fluorescent dye. It is a quaternary ammonium salt, a cyanine dye and a zwitterion.

SMILES: CN1C(=CC=Cc2cc[n+](CCCS(=O)(=O)[O-])c3ccccc23)C(C)(C)c2ccccc21

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

InChI: InChI=1S/C26H28N2O3S/c1-26(2)22-12-5-7-14-24(22)27(3)25(26)15-8-10-20-16-18-28(17-9-19-32(29,30)31)23-13-6-4-11-21(20)23/h4-8,10-16,18H,9,17,19H2,1-3H3

Molecular Properties:
- Polar Surface Area: 72.7 Ų
- LogP: 5.0