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

Systemtic Name: 6-(3-phenyl-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)hexanoic acid perchlorate Openeye Name: 6-(3-phenyl-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)hexanoic acid perchlorate CAS Name: 6-(3-phenyl-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)hexanoic acid perchlorate IUPAC Name: 6-(3-phenyl-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)hexanoic acid perchlorate Traditional Name: 6-(3-phenyl-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)hexanoic acid perchlorate Formula: C24H32ClNO6 MolecularWeight: 465.96698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO2.ClHO4/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;2-1(3,4)5/h3,5-6,12-13,18H,2,4,7-11,14-17H2,1H3;(H,2,3,4,5)