Molecule ID: 135468721

IUPAC Name: [7-(diethylamino)-3,4-dioxo-10H-phenoxazine-1-carbonyl]azanium

Description: The molecule is an organic cation that is 3,4-dihydroxyphenoxazin-5-ium carrying additional carbamoyl and diethylamino groups at positions 1 and 7 respectively. The chloride salt is the histological dye 'Celestin blue B'.

SMILES: CCN(CC)c1ccc2[nH]c3c(C(=[NH2+])O)cc(=O)c(=O)c=3oc2c1

SELFIES: [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][NH1][C][C][Branch1][=Branch1][C][=Branch1][C][=NH2+1][O][=C][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=Ring1][O][O][C][Ring1][#C][=C][Ring2][Ring1][Ring1]

InChI: InChI=1S/C17H17N3O4/c1-3-20(4-2)9-5-6-11-13(7-9)24-16-14(19-11)10(17(18)23)8-12(21)15(16)22/h5-8,19H,3-4H2,1-2H3,(H2,18,23)/p+1

Molecular Properties:
- Polar Surface Area: 103.0 Ų
- LogP: 0.9