7-fluoranyl-3-methyl-N-[[(3S)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methyl]-1-benzofuran-2-carboxamide

Systemtic Name: 7-fluoranyl-3-methyl-N-[[(3S)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methyl]-1-benzofuran-2-carboxamide Openeye Name: 7-fluoro-3-methyl-N-[[(3S)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methyl]benzofuran-2-carboxamide CAS Name: 7-fluoro-3-methyl-N-[[(3S)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methyl]-2-benzofurancarboxamide IUPAC Name: 7-fluoro-3-methyl-N-[[(3S)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methyl]-1-benzofuran-2-carboxamide Traditional Name: 7-fluoro-3-methyl-N-[[(3S)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methyl]coumarilamide Formula: C21H22FN2O2+ MolecularWeight: 353.409983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC=C2F)C(=O)NCC3CC4=CC=CC=C4C[NH+]3C

Isomeric SMILES

CC1=C(OC2=C1C=CC=C2F)C(=O)NC[C@@H]3CC4=CC=CC=C4C[NH+]3C

InChI

InChI=1S/C21H21FN2O2/c1-13-17-8-5-9-18(22)20(17)26-19(13)21(25)23-11-16-10-14-6-3-4-7-15(14)12-24(16)2/h3-9,16H,10-12H2,1-2H3,(H,23,25)/p+1/t16-/m0/s1