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

Systemtic Name: 3-(3-phenyl-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)benzoic acid Openeye Name: 3-(3-phenyl-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)benzoic acid CAS Name: 3-(3-phenyl-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)benzoic acid IUPAC Name: 3-(3-phenyl-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)benzoic acid Traditional Name: 3-(3-phenyl-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)benzoic acid Formula: C25H26NO2+ MolecularWeight: 372.47944

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO2/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/h3-5,8,10-11,13-14,16-17H,2,6-7,9,12,15H2,1H3/p+1