1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-methylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-methylsulfonyl-piperazin-1-ium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-methylsulfonyl-piperazin-1-ium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-methylsulfonylpiperazin-1-ium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-methylsulfonylpiperazin-1-ium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-mesyl-piperazin-1-ium Formula: C13H20BrN2O3S+ MolecularWeight: 364.2785

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19BrN2O3S/c1-19-13-4-3-11(9-12(13)14)10-15-5-7-16(8-6-15)20(2,17)18/h3-4,9H,5-8,10H2,1-2H3/p+1