Molecule ID: 135398070

IUPAC Name: methyl (1S,2S,17E)-17-ethylidene-2-formyl-4-aza-14-azoniatetracyclo[12.2.2.03,11.05,10]octadeca-3(11),5,7,9,14-pentaene-2-carboxylate

Description: The molecule is a four-electron reduction will result in CHEBI:9260 It is an organic heterotetracyclic compound, a monoterpenoid indole alkaloid and a methyl ester.

SMILES: C/C=C1/C[N+]2=CC[C@@H]1[C@](C=O)(C(=O)OC)c1[nH]c3ccccc3c1CC2

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

InChI: InChI=1S/C21H23N2O3/c1-3-14-12-23-10-8-16-15-6-4-5-7-18(15)22-19(16)21(13-24,20(25)26-2)17(14)9-11-23/h3-7,11,13,17,22H,8-10,12H2,1-2H3/q+1/b14-3-/t17-,21-/m0/s1

Molecular Properties:
- Polar Surface Area: 62.2 Ų
- LogP: 1.1