6-(3-phenyl-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)hexanoic acid

Systemtic Name: 6-(3-phenyl-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)hexanoic acid Openeye Name: 6-(3-phenyl-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)hexanoic acid CAS Name: 6-(3-phenyl-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)hexanoic acid IUPAC Name: 6-(3-phenyl-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)hexanoic acid Traditional Name: 6-(3-phenyl-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)hexanoic acid Formula: C24H32NO2+ MolecularWeight: 366.51638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2CCCCC2=CC(=[N+]1CCCCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCCC1=C2CCCCC2=CC(=[N+]1CCCCCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C24H31NO2/c1-2-11-22-21-15-9-8-14-20(21)18-23(19-12-5-3-6-13-19)25(22)17-10-4-7-16-24(26)27/h3,5-6,12-13,18H,2,4,7-11,14-17H2,1H3/p+1