N-(2-chlorophenyl)-2-[4-(2-fluoranyl-4-methoxy-phenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-(2-fluoranyl-4-methoxy-phenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-(2-fluoro-4-methoxy-benzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[(2-fluoro-4-methoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-(2-fluoro-4-methoxy-benzoyl)piperazin-1-ium-1-yl]acetamide Formula: C20H22ClFN3O3+ MolecularWeight: 406.858383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl)F

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl)F

InChI

InChI=1S/C20H21ClFN3O3/c1-28-14-6-7-15(17(22)12-14)20(27)25-10-8-24(9-11-25)13-19(26)23-18-5-3-2-4-16(18)21/h2-7,12H,8-11,13H2,1H3,(H,23,26)/p+1