[4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(2-fluorophenyl)methanone

Systemtic Name: [4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(2-fluorophenyl)methanone Openeye Name: [4-[(3-bromo-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(2-fluorophenyl)methanone CAS Name: [4-[(3-bromo-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(2-fluorophenyl)methanone IUPAC Name: [4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(2-fluorophenyl)methanone Traditional Name: [4-(3-bromo-4-methoxy-benzyl)piperazin-4-ium-1-yl]-(2-fluorophenyl)methanone Formula: C19H21BrFN2O2+ MolecularWeight: 408.284643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3F)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3F)Br

InChI

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