N-(2-ethylphenyl)-2-[4-[2-(3-fluoranyl-4-methoxy-phenyl)ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[2-(3-fluoranyl-4-methoxy-phenyl)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[2-(3-fluoro-4-methoxy-phenyl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[2-(3-fluoro-4-methoxyphenyl)-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[2-(3-fluoro-4-methoxy-phenyl)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C23H29FN3O3+ MolecularWeight: 414.493063

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C23H28FN3O3/c1-3-18-6-4-5-7-20(18)25-22(28)16-26-10-12-27(13-11-26)23(29)15-17-8-9-21(30-2)19(24)14-17/h4-9,14H,3,10-13,15-16H2,1-2H3,(H,25,28)/p+1