[2,3-bis(chloranyl)phenyl] 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate

Systemtic Name: [2,3-bis(chloranyl)phenyl] 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Openeye Name: (2,3-dichlorophenyl) 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzoic acid (2,3-dichlorophenyl) ester IUPAC Name: (2,3-dichlorophenyl) 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoic acid (2,3-dichlorophenyl) ester Formula: C18H19Cl2N2O4S+ MolecularWeight: 430.32546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18Cl2N2O4S/c1-21-8-10-22(11-9-21)27(24,25)14-5-2-4-13(12-14)18(23)26-16-7-3-6-15(19)17(16)20/h2-7,12H,8-11H2,1H3/p+1