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

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: 3-(4-benzylpiperazin-1-ium-1-yl)-N-(4-bromo-2-fluoro-phenyl)propanamide CAS Name: N-(4-bromo-2-fluorophenyl)-3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: 3-(4-benzylpiperazin-1-ium-1-yl)-N-(4-bromo-2-fluorophenyl)propanamide Traditional Name: 3-(4-benzylpiperazin-1-ium-1-yl)-N-(4-bromo-2-fluoro-phenyl)propionamide Formula: C20H24BrFN3O+ MolecularWeight: 421.326463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=C(C=C(C=C2)Br)F)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=C(C=C(C=C2)Br)F)CC3=CC=CC=C3

InChI

InChI=1S/C20H23BrFN3O/c21-17-6-7-19(18(22)14-17)23-20(26)8-9-24-10-12-25(13-11-24)15-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H,23,26)/p+1