(4R)-6-fluoranyl-4-(4-propylpiperazine-1,4-diium-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (4R)-6-fluoranyl-4-(4-propylpiperazine-1,4-diium-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (4R)-6-fluoro-4-(4-propylpiperazine-1,4-diium-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (4R)-6-fluoro-4-(4-propyl-1-piperazine-1,4-diiumyl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (4R)-6-fluoro-4-(4-propylpiperazine-1,4-diium-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (4R)-6-fluoro-4-(4-propylpiperazine-1,4-diium-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C16H27FN3+3 MolecularWeight: 280.404083

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CC[NH+](CC1)C2C[NH2+]CC3=C2C=C(C=C3)F

Isomeric SMILES

CCC[NH+]1CC[NH+](CC1)[C@H]2C[NH2+]CC3=C2C=C(C=C3)F

InChI

InChI=1S/C16H24FN3/c1-2-5-19-6-8-20(9-7-19)16-12-18-11-13-3-4-14(17)10-15(13)16/h3-4,10,16,18H,2,5-9,11-12H2,1H3/p+3/t16-/m0/s1