N-(4-bromanyl-2-fluoranyl-phenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(4-bromo-2-fluorophenyl)-3-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C19H22BrFN3O2+ MolecularWeight: 423.299283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrFN3O2/c20-14-1-6-18(17(21)13-14)22-19(26)7-8-23-9-11-24(12-10-23)15-2-4-16(25)5-3-15/h1-6,13,25H,7-12H2,(H,22,26)/p+1