Molecule ID: 1549069

IUPAC Name: 4-[(1E,3E)-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N,N-dimethylaniline

Description: The molecule is a cationic C3 cyanine-type compound with 4-(dimethylamino)phenyl and 3-ethyl-1,3-benzothiazolium groups at either end. It has a role as a fluorochrome. It is a tertiary amine and a benzothiazolium ion.

SMILES: CCN1C(=CC=CC=C2C=CC(=[N+](C)C)C=C2)Sc2ccccc21

SELFIES: [C][C][N][C][=Branch2][Ring1][Ring2][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=N+1][Branch1][C][C][C][C][=C][Ring1][=Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1]

InChI: InChI=1S/C21H23N2S/c1-4-23-19-10-6-7-11-20(19)24-21(23)12-8-5-9-17-13-15-18(16-14-17)22(2)3/h5-16H,4H2,1-3H3/q+1

Molecular Properties:
- Polar Surface Area: 35.4 Ų
- LogP: 5.9