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4-[3-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]sulfonylmorpholine
4-[3-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]sulfonylmorpholine
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Descriptors Computed from Structure
Canonical SMILES:
C1CCC2=C(C1)C=C[N+](=C2)CC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4
Isomeric SMILES
C1CCC2=C(C1)C=C[N+](=C2)CC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4
InChI
InChI=1S/C20H25N2O3S/c23-26(24,22-10-12-25-13-11-22)20-7-3-4-17(14-20)15-21-9-8-18-5-1-2-6-19(18)16-21/h3-4,7-9,14,16H,1-2,5-6,10-13,15H2/q+1
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