(4R)-4-(azepan-1-ium-1-yl)-5-fluoranyl-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (4R)-4-(azepan-1-ium-1-yl)-5-fluoranyl-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (4R)-4-(azepan-1-ium-1-yl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (4R)-4-(1-azepan-1-iumyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (4R)-4-(azepan-1-ium-1-yl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (4R)-4-(azepan-1-ium-1-yl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C15H23FN2+2 MolecularWeight: 250.354923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2C[NH2+]CC3=C2C(=CC=C3)F

Isomeric SMILES

C1CCC[NH+](CC1)[C@H]2C[NH2+]CC3=C2C(=CC=C3)F

InChI

InChI=1S/C15H21FN2/c16-13-7-5-6-12-10-17-11-14(15(12)13)18-8-3-1-2-4-9-18/h5-7,14,17H,1-4,8-11H2/p+2/t14-/m0/s1