Molecule ID: 75890

IUPAC Name: [7-(dimethylamino)-4-nitrophenothiazin-3-ylidene]-dimethylazanium

Description: The molecule is an organic cation that is phenothiazin-5-ium substituted by dimethylamino groups at positions 3 and 7 as well as a nitro group at position 4. The chloride salt is the histological dye 'methylene green'.

SMILES: CN(C)c1ccc2nc3ccc(N(C)C)c([N+](=O)[O-])c3[s+]c2c1

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

InChI: InChI=1S/C16H17N4O2S/c1-18(2)10-5-6-11-14(9-10)23-16-12(17-11)7-8-13(19(3)4)15(16)20(21)22/h5-9H,1-4H3/q+1

Molecular Properties:
- Polar Surface Area: 89.7 Ų
- LogP: 2.3