N-(4-chloranyl-2-fluoranyl-phenyl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-chloro-2-fluoro-phenyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-chloro-2-fluorophenyl)-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-chloro-2-fluorophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-chloro-2-fluoro-phenyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Formula: C20H26ClFN5O+ MolecularWeight: 406.904743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3)Cl)F

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C20H25ClFN5O/c1-13(2)20-23-14(3)10-18(25-20)27-8-6-26(7-9-27)12-19(28)24-17-5-4-15(21)11-16(17)22/h4-5,10-11,13H,6-9,12H2,1-3H3,(H,24,28)/p+1