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

Systemtic Name: 3-(3-phenyl-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)benzoic acid perchlorate Openeye Name: 3-(3-phenyl-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)benzoic acid perchlorate CAS Name: 3-(3-phenyl-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)benzoic acid perchlorate IUPAC Name: 3-(3-phenyl-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)benzoic acid perchlorate Traditional Name: 3-(3-phenyl-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)benzoic acid perchlorate Formula: C25H26ClNO6 MolecularWeight: 471.93004

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2CCCCC2=CC(=[N+]1C3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCC1=C2CCCCC2=CC(=[N+]1C3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C25H25NO2.ClHO4/c1-2-9-23-22-15-7-6-12-19(22)17-24(18-10-4-3-5-11-18)26(23)21-14-8-13-20(16-21)25(27)28;2-1(3,4)5/h3-5,8,10-11,13-14,16-17H,2,6-7,9,12,15H2,1H3;(H,2,3,4,5)