(2R)-N-(2-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(2-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(2-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(2-fluorophenyl)-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(2-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(2-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C20H25FN3O2+ MolecularWeight: 358.429803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1F)[NH+]2CCN(CC2)C3=CC(=CC=C3)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1F)[NH+]2CCN(CC2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C20H24FN3O2/c1-15(20(25)22-19-9-4-3-8-18(19)21)23-10-12-24(13-11-23)16-6-5-7-17(14-16)26-2/h3-9,14-15H,10-13H2,1-2H3,(H,22,25)/p+1/t15-/m1/s1