6-(1-methyl-3-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)hexanoate

Systemtic Name: 6-(1-methyl-3-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)hexanoate Openeye Name: 6-(1-methyl-3-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)hexanoate CAS Name: 6-(1-methyl-3-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)hexanoate IUPAC Name: 6-(1-methyl-3-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)hexanoate Traditional Name: 6-(1-methyl-3-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)hexanoate Formula: C22H27NO2 MolecularWeight: 337.45528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=CC(=[N+]1CCCCCC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=C2CCCCC2=CC(=[N+]1CCCCCC(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C22H27NO2/c1-17-20-13-8-7-12-19(20)16-21(18-10-4-2-5-11-18)23(17)15-9-3-6-14-22(24)25/h2,4-5,10-11,16H,3,6-9,12-15H2,1H3