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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3F

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3F

InChI

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