1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium Formula: C18H21BrFN2O3S+ MolecularWeight: 444.338343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrFN2O3S/c1-25-18-7-2-15(19)12-14(18)13-21-8-10-22(11-9-21)26(23,24)17-5-3-16(20)4-6-17/h2-7,12H,8-11,13H2,1H3/p+1