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

Systemtic Name: 6-(1-ethyl-3-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)hexanoic acid Openeye Name: 6-(1-ethyl-3-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)hexanoic acid CAS Name: 6-(1-ethyl-3-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)hexanoic acid IUPAC Name: 6-(1-ethyl-3-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)hexanoic acid Traditional Name: 6-(1-ethyl-3-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)hexanoic acid Formula: C23H30NO2+ MolecularWeight: 352.4898

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=CC(=[N+]1CCCCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCC1=C2CCCCC2=CC(=[N+]1CCCCCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C23H29NO2/c1-2-21-20-14-9-8-13-19(20)17-22(18-11-5-3-6-12-18)24(21)16-10-4-7-15-23(25)26/h3,5-6,11-12,17H,2,4,7-10,13-16H2,1H3/p+1