2-ethoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate

Systemtic Name: 2-ethoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate Openeye Name: 2-ethoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate CAS Name: 2-ethoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzoate IUPAC Name: 2-ethoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 2-ethoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate Formula: C14H20N2O5S MolecularWeight: 328.384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C)C(=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C)C(=O)[O-]

InChI

InChI=1S/C14H20N2O5S/c1-3-21-13-5-4-11(10-12(13)14(17)18)22(19,20)16-8-6-15(2)7-9-16/h4-5,10H,3,6-9H2,1-2H3,(H,17,18)