Molecule ID: 24848181

IUPAC Name: diethyl-[2-[[4-(hydroxymethyl)-9-oxothioxanthen-1-yl]amino]ethyl]azanium

Description: The molecule is an ammonium ion resulting from the protonation of the tertiary amino group of lycanthone. It is a conjugate acid of a hycanthone.

SMILES: CCN(CC)CC[NH2+]c1ccc(CO)c2sc3ccccc3c(=O)c12

SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][NH2+1][C][=C][C][=C][Branch1][Ring1][C][O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][P][=Ring1][O]

InChI: InChI=1S/C20H24N2O2S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20/h5-10,21,23H,3-4,11-13H2,1-2H3/p+1

Molecular Properties:
- Polar Surface Area: 79.1 Ų
- LogP: 2.7