(2R)-2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-propanamide

Systemtic Name: (2R)-2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-propanamide Openeye Name: (2R)-2-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-propanamide CAS Name: (2R)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-methylpropanamide IUPAC Name: (2R)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methylpropanamide Traditional Name: (2R)-2-[4-(5-fluoro-2-methoxy-benzyl)piperazine-1,4-diium-1-yl]-N-methyl-propionamide Formula: C16H26FN3O2+2 MolecularWeight: 311.394943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC)[NH+]1CC[NH+](CC1)CC2=C(C=CC(=C2)F)OC

Isomeric SMILES

C[C@H](C(=O)NC)[NH+]1CC[NH+](CC1)CC2=C(C=CC(=C2)F)OC

InChI

InChI=1S/C16H24FN3O2/c1-12(16(21)18-2)20-8-6-19(7-9-20)11-13-10-14(17)4-5-15(13)22-3/h4-5,10,12H,6-9,11H2,1-3H3,(H,18,21)/p+2/t12-/m1/s1