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

Systemtic Name: N-(2-ethoxyphenyl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethoxyphenyl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethoxyphenyl)-2-[4-[(3-fluorophenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethoxyphenyl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(3-fluorobenzyl)piperazin-1-ium-1-yl]-N-o-phenetyl-acetamide Formula: C21H27FN3O2+ MolecularWeight: 372.456383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C21H26FN3O2/c1-2-27-20-9-4-3-8-19(20)23-21(26)16-25-12-10-24(11-13-25)15-17-6-5-7-18(22)14-17/h3-9,14H,2,10-13,15-16H2,1H3,(H,23,26)/p+1