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

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(4-bromo-2-fluorophenyl)-3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propionamide Formula: C19H21BrClFN3O+ MolecularWeight: 441.744943

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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(=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrClFN3O/c20-14-4-5-18(17(22)12-14)23-19(26)6-7-24-8-10-25(11-9-24)16-3-1-2-15(21)13-16/h1-5,12-13H,6-11H2,(H,23,26)/p+1