4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-1-methyl-pyrrole-2-carboxylate Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-1-methyl-2-pyrrolecarboxylate IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-1-methyl-pyrrole-2-carboxylate Formula: C12H19N3O4S MolecularWeight: 301.36196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3O4S/c1-3-14-4-6-15(7-5-14)20(18,19)10-8-11(12(16)17)13(2)9-10/h8-9H,3-7H2,1-2H3,(H,16,17)