3-oxidanyl-6-(phenylcarbonyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenolate

Systemtic Name: 3-oxidanyl-6-(phenylcarbonyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenolate Openeye Name: 6-benzoyl-3-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenolate CAS Name: 6-benzoyl-3-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenolate IUPAC Name: 6-benzoyl-3-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenolate Traditional Name: 6-benzoyl-3-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenolate Formula: C23H21NO3 MolecularWeight: 359.41774

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=C(C=CC(=C3[O-])C(=O)C4=CC=CC=C4)O

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=C(C=CC(=C3[O-])C(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C23H21NO3/c25-21-11-10-19(22(26)17-7-2-1-3-8-17)23(27)20(21)15-24-13-12-16-6-4-5-9-18(16)14-24/h1-11,25,27H,12-15H2