(2S)-N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-p-phenetyl-propionamide Formula: C21H27FN3O2+ MolecularWeight: 372.456383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O2/c1-3-27-20-10-6-18(7-11-20)23-21(26)16(2)24-12-14-25(15-13-24)19-8-4-17(22)5-9-19/h4-11,16H,3,12-15H2,1-2H3,(H,23,26)/p+1/t16-/m0/s1