Molecule ID: 10283004

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

Description: The molecule is a cationic C1 cyanine dye having benzothiazolium-2-yl and quinolinium-4-yl substituents. It has a role as a fluorochrome. It is a quinolinium ion, a benzothiazolium ion and a cyanine dye.

SMILES: C[n+]1c(C=C2C=CN(CCC[N+](C)(C)C)c3ccccc32)sc2ccccc21

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

InChI: InChI=1S/C24H29N3S/c1-25-22-12-7-8-13-23(22)28-24(25)18-19-14-16-26(15-9-17-27(2,3)4)21-11-6-5-10-20(19)21/h5-8,10-14,16,18H,9,15,17H2,1-4H3/q+2

Molecular Properties:
- Polar Surface Area: 32.4 Ų
- LogP: 5.1