(2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-acetamide CAS Name: (2S)-2-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide Traditional Name: (2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-acetamide Formula: C26H29FN3O2+ MolecularWeight: 434.525763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C26H28FN3O2/c1-19-12-13-24(32-2)22(18-19)28-26(31)25(20-8-4-3-5-9-20)30-16-14-29(15-17-30)23-11-7-6-10-21(23)27/h3-13,18,25H,14-17H2,1-2H3,(H,28,31)/p+1/t25-/m0/s1