Molecule ID: 3940162

IUPAC Name: 1-benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium

Description: The molecule is the conjugate acid of 1-benzyl-1,2,3,4-tetrahydroisoquinoline arising from protonation of the amino group; major species at pH 7.3. It is a conjugate acid of a (RS)-1-benzyl-1,2,3,4-tetrahydroisoquinoline.

SMILES: c1ccc(CC2[NH2+]CCc3ccccc32)cc1

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

InChI: InChI=1S/C16H17N/c1-2-6-13(7-3-1)12-16-15-9-5-4-8-14(15)10-11-17-16/h1-9,16-17H,10-12H2/p+1

Molecular Properties:
- Polar Surface Area: 16.6 Ų
- LogP: 3.3