(2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-cyclopropyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-cyclopropyl-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-cyclopropyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: (2-chloro-6-fluoro-benzyl)-cyclopropyl-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]ammonium Formula: C20H24ClFN5O+ MolecularWeight: 404.888863

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1[NH+](CC2=C(C=CC=C2Cl)F)CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CC1[NH+](CC2=C(C=CC=C2Cl)F)CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H23ClFN5O/c21-17-3-1-4-18(22)16(17)13-27(15-5-6-15)14-19(28)25-9-11-26(12-10-25)20-23-7-2-8-24-20/h1-4,7-8,15H,5-6,9-14H2/p+1