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5-[(4-fluorophenyl)methoxy]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one
5-[(4-fluorophenyl)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=C(C=C4)F
Isomeric SMILES
C1C[NH+](CC2=CC=CC=C21)CC3=CC(=O)C(=CO3)OCC4=CC=C(C=C4)F
InChI
InChI=1S/C22H20FNO3/c23-19-7-5-16(6-8-19)14-27-22-15-26-20(11-21(22)25)13-24-10-9-17-3-1-2-4-18(17)12-24/h1-8,11,15H,9-10,12-14H2/p+1
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