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

Systemtic Name: (2S)-N-(2-ethoxyphenyl)-2-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(2-ethoxyphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2-ethoxyphenyl)-2-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-ethoxyphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-o-phenetyl-propionamide Formula: C22H27FN3O3+ MolecularWeight: 400.466483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3F

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H26FN3O3/c1-3-29-20-11-7-6-10-19(20)24-21(27)16(2)25-12-14-26(15-13-25)22(28)17-8-4-5-9-18(17)23/h4-11,16H,3,12-15H2,1-2H3,(H,24,27)/p+1/t16-/m0/s1