Molecule ID: 16939

IUPAC Name: (5-aminobenzo[a]phenoxazin-9-ylidene)-diethylazanium

Description: The molecule is an organic cation that is 6a,12a-dihydrobenzo[a]phenoxazin-7-ium substituted by amino and dimethylamino groups at positions 5 and 9 respectively. The chloride salt is the histological dye 'nile blue A'

SMILES: CCN(CC)c1ccc2nc3c4ccccc4c(=[NH2+])cc-3oc2c1

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

InChI: InChI=1S/C20H19N3O/c1-3-23(4-2)13-9-10-17-18(11-13)24-19-12-16(21)14-7-5-6-8-15(14)20(19)22-17/h5-12,21H,3-4H2,1-2H3/p+1

Molecular Properties:
- Polar Surface Area: 50.6 Ų
- LogP: 2.7