Molecule ID: 3246373

IUPAC Name: 7-(dimethylamino)-4-hydroxy-3-oxophenoxazin-10-ium-1-carboxylic acid

Description: The molecule is an organic cation that is 3,4-dihydroxyphenoxazin-5-ium carrying additional carboxy and dimethylamino groups at positions 1 and 7 respectively. The chloride salt is the histological dye 'gallocyanin'. It has a role as a fluorochrome and a histological dye.

SMILES: CN(C)c1ccc2[nH+]c3c(C(=O)O)cc(=O)c(O)c-3oc2c1

SELFIES: [C][N][Branch1][C][C][C][=C][C][=C][NH1+1][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=Branch1][C][=O][C][Branch1][C][O][=C][Ring1][O][O][C][Ring1][#C][=C][Ring2][Ring1][Ring1]

InChI: InChI=1S/C15H12N2O5/c1-17(2)7-3-4-9-11(5-7)22-14-12(16-9)8(15(20)21)6-10(18)13(14)19/h3-6,19H,1-2H3,(H,20,21)/p+1

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 1.2