Molecule ID: 145712530

IUPAC Name: 3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazin-2-ium-1-ol

Description: The molecule is a member of the class of indoles that is 1H-indole substituted by a 3-methylbut-1-en-3-yl group at position 2 and a (1-hydroxy-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazin-2-ium-3-yl)methyl group at position 3. It is a member of indoles, a pyrrolopyrazine, an organic cation and an organic hydroxy compound.

SMILES: C=CC(C)(C)c1[nH]c2ccccc2c1CC1=[NH+]C(O)=C2CCCN2C1

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

InChI: InChI=1S/C21H25N3O/c1-4-21(2,3)19-16(15-8-5-6-9-17(15)23-19)12-14-13-24-11-7-10-18(24)20(25)22-14/h4-6,8-9,23,25H,1,7,10-13H2,2-3H3/p+1

Molecular Properties:
- Polar Surface Area: 53.2 Ų
- LogP: 4.1