Molecule ID: 70698235

IUPAC Name: (3S,5'aS,8'aR,9'aS)-7,7,8',8'-tetramethyl-5'a-nitrospiro[1,8-dihydropyrano[2,3-g]indole-3,7'-2,3,4,5,6,8a,9,9a-octahydro-1H-cyclopenta[f]indolizin-4-ium]-2,9-dione

Description: The molecule is an organooxygen compound and an organonitrogen compound. It has a role as a metabolite. It derives from a delta-amino acid.

SMILES: CC1(C)CC(=O)c2c(ccc3c2[NH+]=C(O)[C@]32C[C@@]3([N+](=O)[O-])CN4CCC[C@H]4C[C@@H]3C2(C)C)O1

SELFIES: [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][Branch2][Ring2][O][C][=C][C][=C][Ring1][=Branch1][NH1+1][=C][Branch1][C][O][C@][Ring1][=Branch1][C][C@@][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][N][C][C][C][C@H1][Ring1][Branch1][C][C@@H1][Ring1][N][C][Ring1][#C][Branch1][C][C][C][O][Ring2][Ring1][S]

InChI: InChI=1S/C25H31N3O5/c1-22(2)11-16(29)19-17(33-22)8-7-15-20(19)26-21(30)25(15)12-24(28(31)32)13-27-9-5-6-14(27)10-18(24)23(25,3)4/h7-8,14,18H,5-6,9-13H2,1-4H3,(H,26,30)/p+1/t14-,18+,24+,25-/m0/s1

Molecular Properties:
- Polar Surface Area: 106.0 Ų
- LogP: 2.7