(3R,4R)-1-[(5-fluoranyl-3-methyl-1H-indol-2-yl)methyl]-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(5-fluoranyl-3-methyl-1H-indol-2-yl)methyl]-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-hydroxy-1-piperidin-1-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-3-ol Formula: C20H30FN3O2+2 MolecularWeight: 363.469503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)F)C[NH+]3CCC(C(C3)O)[NH+]4CCC(CC4)O

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)F)C[NH+]3CC[C@H]([C@@H](C3)O)[NH+]4CCC(CC4)O

InChI

InChI=1S/C20H28FN3O2/c1-13-16-10-14(21)2-3-17(16)22-18(13)11-23-7-6-19(20(26)12-23)24-8-4-15(25)5-9-24/h2-3,10,15,19-20,22,25-26H,4-9,11-12H2,1H3/p+2/t19-,20-/m1/s1