Molecule ID: 25229594

IUPAC Name: trimethyl-[3-[4-[(Z,3Z)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]propyl]azanium

Description: The molecule is a cationic C3 cyanine dye having benzothiazolium-2-yl and quinolinium-4-yl substituents. It has a role as a fluorochrome. It is a cyanine dye, a benzothiazolium ion and a quinolinium ion.

SMILES: CN1C(=CC=Cc2cc[n+](CCC[N+](C)(C)C)c3ccccc23)Sc2ccccc21

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

InChI: InChI=1S/C26H31N3S/c1-27-24-14-7-8-15-25(24)30-26(27)16-9-11-21-17-19-28(18-10-20-29(2,3)4)23-13-6-5-12-22(21)23/h5-9,11-17,19H,10,18,20H2,1-4H3/q+2

Molecular Properties:
- Polar Surface Area: 32.4 Ų
- LogP: 5.8