3-bromanyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate

Systemtic Name: 3-bromanyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate Openeye Name: 3-bromo-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate CAS Name: 3-bromo-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzoate IUPAC Name: 3-bromo-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 3-bromo-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate Formula: C12H15BrN2O4S MolecularWeight: 363.2275

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)[O-])Br

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)[O-])Br

InChI

InChI=1S/C12H15BrN2O4S/c1-14-4-6-15(7-5-14)20(18,19)11-3-2-9(12(16)17)8-10(11)13/h2-3,8H,4-7H2,1H3,(H,16,17)