2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(3-fluoranyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(3-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(3-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-N-(3-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-2-(4-o-phenetylpiperazin-1-ium-1-yl)acetamide Formula: C21H27FN3O2+ MolecularWeight: 372.456383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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