Molecule ID: 146672863

IUPAC Name: nan

Description: The molecule is a primary ammonium ion that is the conjugate acid of arterolane, resulting from the protonation of the primary amino group. Major species at pH 7.3. It is a conjugate acid of an arterolane.

SMILES: CC(C)([NH3+])CN=C(O)CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3

SELFIES: [C][C][Branch1][C][C][Branch1][C][NH3+1][C][N][=C][Branch1][C][O][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][O][C][Branch1][Ring2][O][Ring1][#Branch1][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][#Branch2][C][Ring1][#Branch1]

InChI: InChI=1S/C22H36N2O4/c1-20(2,23)13-24-19(25)12-14-3-5-21(6-4-14)26-22(28-27-21)17-8-15-7-16(10-17)11-18(22)9-15/h14-18H,3-13,23H2,1-2H3,(H,24,25)/p+1

Molecular Properties:
- Polar Surface Area: 84.4 Ų
- LogP: 2.4