N-[(4-dimethylaminophenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[4-(dimethylamino)benzyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H28FN4O+ MolecularWeight: 371.471623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27FN4O/c1-24(2)19-7-3-17(4-8-19)15-23-21(27)16-25-11-13-26(14-12-25)20-9-5-18(22)6-10-20/h3-10H,11-16H2,1-2H3,(H,23,27)/p+1