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

Systemtic Name: (2R)-N-(2-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(2-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(2-fluorophenyl)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(2-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(2-fluorophenyl)-2-[4-(4-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=C(C=C3)OC

Isomeric SMILES

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

InChI

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