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

Systemtic Name: N-(4-ethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(4-ethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(4-ethoxyphenyl)-3-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(4-ethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: 3-[4-(2-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)CC[NH+]2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3F

InChI

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