2-ethoxy-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-pyridine-3-carboxylate

Systemtic Name: 2-ethoxy-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-pyridine-3-carboxylate Openeye Name: 2-ethoxy-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-pyridine-3-carboxylate CAS Name: 2-ethoxy-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-3-pyridinecarboxylate IUPAC Name: 2-ethoxy-5-(4-ethylpiperazin-4-ium-1-yl)sulfonylpyridine-3-carboxylate Traditional Name: 2-ethoxy-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-nicotinate Formula: C14H21N3O5S MolecularWeight: 343.39864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O5S/c1-3-16-5-7-17(8-6-16)23(20,21)11-9-12(14(18)19)13(15-10-11)22-4-2/h9-10H,3-8H2,1-2H3,(H,18,19)