2-(2-Phenylethyl)-5,6,7,8-tetrahydroisoquinolin-2-ium

HCID 20076659
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
c1ccc(CC[n+]2ccc3c(c2)CCCC3)cc1
InChIKey
QLSWFKKXFUIVQG-UHFFFAOYSA-N
Molecular formula
C17H20N+
Average molar mass
238.35 g/mol

Names & identifiers

Preferred name
2-(2-Phenylethyl)-5,6,7,8-tetrahydroisoquinolin-2-ium
IUPAC
2-(2-phenylethyl)-5,6,7,8-tetrahydroisoquinolin-2-ium

Database identifiers

PubChem CID
20076659

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
3.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
3
Heavy atoms
18

Related reactions

1 records
New reaction record

Compound notes

Loading…