2-[4-(3-bromanyl-4-methoxy-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[4-(3-bromanyl-4-methoxy-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-(3-bromo-4-methoxy-benzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[(3-bromo-4-methoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-(3-bromo-4-methoxybenzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-(3-bromo-4-methoxy-benzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Formula: C20H22BrFN3O3+ MolecularWeight: 451.309383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F)Br

InChI

InChI=1S/C20H21BrFN3O3/c1-28-18-6-5-14(11-17(18)21)20(27)25-9-7-24(8-10-25)13-19(26)23-16-4-2-3-15(22)12-16/h2-6,11-12H,7-10,13H2,1H3,(H,23,26)/p+1