(3-bromophenyl) 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate

Systemtic Name: (3-bromophenyl) 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Openeye Name: (3-bromophenyl) 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzoic acid (3-bromophenyl) ester IUPAC Name: (3-bromophenyl) 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoic acid (3-bromophenyl) ester Formula: C18H20BrN2O4S+ MolecularWeight: 440.3314

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC(=CC=C3)Br

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H19BrN2O4S/c1-20-8-10-21(11-9-20)26(23,24)17-7-2-4-14(12-17)18(22)25-16-6-3-5-15(19)13-16/h2-7,12-13H,8-11H2,1H3/p+1