Molecule ID: 57339211

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

Description: The molecule is a cationic ergot alkaloid that is the 6,8-dimethyl-6,7,8,9-tetradehydro derivative of ergoline. It is an ergot alkaloid and an organic cation. It derives from a hydride of an ergoline.

SMILES: CC1=C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2[N+](C)=C1

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

InChI: InChI=1S/C16H17N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,8-9,13,15,17H,7H2,1-2H3/q+1/t13-,15-/m1/s1

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