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6-(furan-3-yl)-2-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]-1H-pyrimidin-4-one
6-(furan-3-yl)-2-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]-1H-pyrimidin-4-one
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Descriptors Computed from Structure
Canonical SMILES:
C1C[NH+](CC2=CC=CC=C21)CC3=CC=CC(=C3)C4=NC(=O)C=C(N4)C5=COC=C5
Isomeric SMILES
C1C[NH+](CC2=CC=CC=C21)CC3=CC=CC(=C3)C4=NC(=O)C=C(N4)C5=COC=C5
InChI
InChI=1S/C24H21N3O2/c28-23-13-22(21-9-11-29-16-21)25-24(26-23)19-7-3-4-17(12-19)14-27-10-8-18-5-1-2-6-20(18)15-27/h1-7,9,11-13,16H,8,10,14-15H2,(H,25,26,28)/p+1
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