Molecule ID: 6999105

IUPAC Name: 3-(1-benzylindazol-3-yl)oxypropyl-dimethylazanium

Description: The molecule is an organic cation obtained by protonation of the tertiary amino group of benzydamine. It is the major microspecies at pH 7.3 of benzydamine, which is a locally-acting nonsteroidal anti-inflammatory drug with additional local anaesthetic and analgesic properties. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a benzydamine.

SMILES: CN(C)CCCOc1[nH+]n(Cc2ccccc2)c2ccccc12

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

InChI: InChI=1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3/p+1

Molecular Properties:
- Polar Surface Area: 31.5 Ų
- LogP: 3.9