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

Systemtic Name: N-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: 3-[4-(4-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=C(C=C3)F

Isomeric SMILES

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

InChI

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