N-(2-chloranyl-4-fluoranyl-phenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chloranyl-4-fluoranyl-phenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chloro-4-fluoro-phenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chloro-4-fluorophenyl)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chloro-4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chloro-4-fluoro-phenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C19H22ClFN3O2+ MolecularWeight: 378.848283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C19H21ClFN3O2/c1-26-16-5-3-15(4-6-16)24-10-8-23(9-11-24)13-19(25)22-18-7-2-14(21)12-17(18)20/h2-7,12H,8-11,13H2,1H3,(H,22,25)/p+1