3-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-4,5-dimethyl-benzoate

Systemtic Name: 3-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-4,5-dimethyl-benzoate Openeye Name: 3-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-4,5-dimethyl-benzoate CAS Name: 3-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-4,5-dimethylbenzoate IUPAC Name: 3-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-4,5-dimethylbenzoate Traditional Name: 3-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-4,5-dimethyl-benzoate Formula: C15H22N2O4S MolecularWeight: 326.41118

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)[O-]

InChI

InChI=1S/C15H22N2O4S/c1-4-16-5-7-17(8-6-16)22(20,21)14-10-13(15(18)19)9-11(2)12(14)3/h9-10H,4-8H2,1-3H3,(H,18,19)