N-(4-bromanyl-2-fluoranyl-phenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: N-(4-bromo-2-fluorophenyl)-3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C17H20BrFN5O+ MolecularWeight: 409.276003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=C(C=C(C=C2)Br)F)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=C(C=C(C=C2)Br)F)C3=NC=CC=N3

InChI

InChI=1S/C17H19BrFN5O/c18-13-2-3-15(14(19)12-13)22-16(25)4-7-23-8-10-24(11-9-23)17-20-5-1-6-21-17/h1-3,5-6,12H,4,7-11H2,(H,22,25)/p+1