N-(2,6-diethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-diethylphenyl)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-diethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C22H29FN3O+ MolecularWeight: 370.483563

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H28FN3O/c1-3-17-6-5-7-18(4-2)22(17)24-21(27)16-25-12-14-26(15-13-25)20-10-8-19(23)9-11-20/h5-11H,3-4,12-16H2,1-2H3,(H,24,27)/p+1