(4-bromanyl-2-fluoranyl-phenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-bromo-2-fluoro-phenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-bromo-2-fluorophenyl)-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-bromo-2-fluorophenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-bromo-2-fluoro-phenyl)-(4-p-anisylpiperazin-4-ium-1-yl)methanone Formula: C19H21BrFN2O2+ MolecularWeight: 408.284643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=C(C=C(C=C3)Br)F

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C19H20BrFN2O2/c1-25-16-5-2-14(3-6-16)13-22-8-10-23(11-9-22)19(24)17-7-4-15(20)12-18(17)21/h2-7,12H,8-11,13H2,1H3/p+1