Molecule ID: 5326150

IUPAC Name: 6-chloro-2-methyl-9H-pyrido[3,4-b]indol-2-ium

Description: The molecule is a member of the class of beta-carbolines that is 9H-beta-carbolin-2-ium substituted by a chloro group at position 6 and a methyl group at position 2. It is isolated from a fresh water cyanobacterium Nostoc 78-12A and acts as an inhibitor of butyrylcholinesterase. It has a role as a metabolite, an EC 3.1.1.8 (cholinesterase) inhibitor and an antimalarial. It is a member of beta-carbolines, an organochlorine compound, an organic cation and an alkaloid.

SMILES: Cn1ccc2c3cc(Cl)ccc3[nH+]c-2c1

SELFIES: [C][N][C][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=NH1+1][C][Ring1][#Branch2][=C][Ring1][=C]

InChI: InChI=1S/C12H9ClN2/c1-15-5-4-9-10-6-8(13)2-3-11(10)14-12(9)7-15/h2-7H,1H3/p+1

Molecular Properties:
- Polar Surface Area: 19.7 Ų
- LogP: 3.1