Molecule ID: 59228858

IUPAC Name: 5,8-diaza-14-azoniatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene

Description: The molecule is an organic cation obtained by protonation of the secondary amino group of varenicline. It is an organic cation and an ammonium ion derivative. It is a conjugate acid of a varenicline.

SMILES: c1cnc2cc3c(cc2n1)C1C[NH2+]CC3C1

SELFIES: [C][=C][N][=C][C][=C][C][=Branch1][Branch2][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][C][NH2+1][C][C][Ring1][#Branch2][C][Ring1][=Branch1]

InChI: InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2/p+1

Molecular Properties:
- Polar Surface Area: 42.4 Ų
- LogP: 0.8