Molecule ID: 36688142

IUPAC Name: [3-[2-(dimethylazaniumyl)ethyl]-1H-indol-4-yl] phosphate

Description: The molecule is an organophosphate oxoanion resulting from the protons from the phosphate group and the protonation of the tertiary amino group of psilocybin. The major species at pH 7.3 It has a role as a fungal metabolite, a hallucinogen, a prodrug and a serotonergic agonist. It is a conjugate base of a psilocybin.

SMILES: CN(C)CCc1c[nH]c2cccc(OP(=O)([O-])O)c12

SELFIES: [C][N][Branch1][C][C][C][C][C][=C][NH1][C][=C][C][=C][C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O-1][O][=C][Ring1][=C][Ring1][O]

InChI: InChI=1S/C12H17N2O4P/c1-14(2)7-6-9-8-13-10-4-3-5-11(12(9)10)18-19(15,16)17/h3-5,8,13H,6-7H2,1-2H3,(H2,15,16,17)/p-1

Molecular Properties:
- Polar Surface Area: 92.6 Ų
- LogP: -1.8