3-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzoate

Systemtic Name: 3-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzoate Openeye Name: 3-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzoate CAS Name: 3-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]benzoate IUPAC Name: 3-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 3-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzoate Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4S/c1-2-14-6-8-15(9-7-14)20(18,19)12-5-3-4-11(10-12)13(16)17/h3-5,10H,2,6-9H2,1H3,(H,16,17)