N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-[4-(3-methoxyphenyl)carbonylpiperazin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-[4-(3-methoxyphenyl)carbonylpiperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-2-[4-(3-methoxybenzoyl)piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-2-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-2-[4-(3-methoxybenzoyl)piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-(2-chloro-6-fluoro-benzyl)-2-(4-m-anisoylpiperazin-1-ium-1-yl)-N-methyl-acetamide Formula: C22H26ClFN3O3+ MolecularWeight: 434.911543

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H25ClFN3O3/c1-25(14-18-19(23)7-4-8-20(18)24)21(28)15-26-9-11-27(12-10-26)22(29)16-5-3-6-17(13-16)30-2/h3-8,13H,9-12,14-15H2,1-2H3/p+1