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5-[(3-chlorophenyl)methoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one
5-[(3-chlorophenyl)methoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one
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Descriptors Computed from Structure
Canonical SMILES:
C1C[NH+](CC2=CC=CC=C21)CC3=CC(=O)C(=CO3)OCC4=CC(=CC=C4)Cl
Isomeric SMILES
C1C[NH+](CC2=CC=CC=C21)CC3=CC(=O)C(=CO3)OCC4=CC(=CC=C4)Cl
InChI
InChI=1S/C22H20ClNO3/c23-19-7-3-4-16(10-19)14-27-22-15-26-20(11-21(22)25)13-24-9-8-17-5-1-2-6-18(17)12-24/h1-7,10-11,15H,8-9,12-14H2/p+1
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