N-(4-chloranyl-2-fluoranyl-phenyl)-3-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]propanamide

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-3-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]propanamide Openeye Name: N-(4-chloro-2-fluoro-phenyl)-3-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazin-1-yl]propanamide CAS Name: N-(4-chloro-2-fluorophenyl)-3-[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]propanamide IUPAC Name: N-(4-chloro-2-fluorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazin-1-yl]propanamide Traditional Name: N-(4-chloro-2-fluoro-phenyl)-3-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazino]propionamide Formula: C21H28ClFN5O+ MolecularWeight: 420.931323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)CCC(=O)NC3=C(C=C(C=C3)Cl)F

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)CCC(=O)NC3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C21H27ClFN5O/c1-14(2)21-24-15(3)12-19(26-21)28-10-8-27(9-11-28)7-6-20(29)25-18-5-4-16(22)13-17(18)23/h4-5,12-14H,6-11H2,1-3H3,(H,25,29)/p+1