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

Systemtic Name: (2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)propanamide Openeye Name: (2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)propanamide CAS Name: (2R)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-N-(3-fluorophenyl)propanamide IUPAC Name: (2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)propanamide Traditional Name: (2R)-N-(3-fluorophenyl)-2-(4-o-phenetylpiperazin-1-ium-1-yl)propionamide Formula: C21H27FN3O2+ MolecularWeight: 372.456383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)C(C)C(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)[C@H](C)C(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C21H26FN3O2/c1-3-27-20-10-5-4-9-19(20)25-13-11-24(12-14-25)16(2)21(26)23-18-8-6-7-17(22)15-18/h4-10,15-16H,3,11-14H2,1-2H3,(H,23,26)/p+1/t16-/m1/s1