Molecule ID: 71464675

IUPAC Name: (2-methoxyphenyl)methyl-[6-[8-[6-[(2-methoxyphenyl)methylazaniumyl]hexylazaniumyl]octylazaniumyl]hexyl]azanium

Description: The molecule is an organic cation obtained by protonation of the four amino groups of methoctramine. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a methoctramine.

SMILES: COc1ccccc1C[NH2+]CCCCCC[NH2+]CCCCCCCC[NH2+]CCCCCC[NH2+]Cc1ccccc1OC

SELFIES: [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][C][C][C][C][C][NH2+1][C][C][C][C][C][C][C][C][NH2+1][C][C][C][C][C][C][NH2+1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C]

InChI: InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3/p+4

Molecular Properties:
- Polar Surface Area: 84.9 Ų
- LogP: 6.8