N-(2,5-diethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,5-diethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,5-diethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,5-diethoxyphenyl)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,5-diethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,5-diethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C22H29FN3O3+ MolecularWeight: 402.482363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28FN3O3/c1-3-28-19-9-10-21(29-4-2)20(15-19)24-22(27)16-25-11-13-26(14-12-25)18-7-5-17(23)6-8-18/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,24,27)/p+1