Molecule ID: 57339187

IUPAC Name: (6aR,10aR)-7,9-dimethyl-4,6,6a,9,10,10a-hexahydroindolo[4,3-fg]quinolin-7-ium

Description: The molecule is a cationic ergot alkaloid that is the 6,8-dimethyl-6,7-didehydro derivative of ergoline. It is an ergot alkaloid and an organic cation. It derives from a hydride of an ergoline.

SMILES: CC1C=[N+](C)[C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2C1

SELFIES: [C][C][C][=N+1][Branch1][C][C][C@@H1][C][C][=C][NH1][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch2][Ring1][=Branch1][C@H1][Ring1][N][C][Ring1][P]

InChI: InChI=1S/C16H19N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-5,8-10,13,15,17H,6-7H2,1-2H3/q+1/t10?,13-,15-/m1/s1

Molecular Properties:
- Polar Surface Area: 18.8 Ų
- LogP: 2.1