N-[2-[(2-fluoranyl-4-methoxy-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide

Systemtic Name: N-[2-[(2-fluoranyl-4-methoxy-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide Openeye Name: N-[2-[(2-fluoro-4-methoxy-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide CAS Name: N-[2-[(2-fluoro-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]-4-pyridinecarboxamide IUPAC Name: N-[2-[(2-fluoro-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide Traditional Name: N-[2-(2-fluoro-4-methoxy-benzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]isonicotinamide Formula: C23H23FN3O2+ MolecularWeight: 392.446023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=NC=C4)F

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=NC=C4)F

InChI

InChI=1S/C23H22FN3O2/c1-29-21-5-3-18(22(24)13-21)14-27-11-8-16-2-4-20(12-19(16)15-27)26-23(28)17-6-9-25-10-7-17/h2-7,9-10,12-13H,8,11,14-15H2,1H3,(H,26,28)/p+1