4-[[3-(dimethylazaniumyl)-2,2-dimethyl-propyl]sulfamoyl]-1-methyl-pyrrole-2-carboxylate

Systemtic Name: 4-[[3-(dimethylazaniumyl)-2,2-dimethyl-propyl]sulfamoyl]-1-methyl-pyrrole-2-carboxylate Openeye Name: 4-[[3-(dimethylammonio)-2,2-dimethyl-propyl]sulfamoyl]-1-methyl-pyrrole-2-carboxylate CAS Name: 4-[[3-(dimethylammonio)-2,2-dimethylpropyl]sulfamoyl]-1-methyl-2-pyrrolecarboxylate IUPAC Name: 4-[[3-(dimethylazaniumyl)-2,2-dimethylpropyl]sulfamoyl]-1-methylpyrrole-2-carboxylate Traditional Name: 4-[[3-(dimethylammonio)-2,2-dimethyl-propyl]sulfamoyl]-1-methyl-pyrrole-2-carboxylate Formula: C13H23N3O4S MolecularWeight: 317.40442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNS(=O)(=O)C1=CN(C(=C1)C(=O)[O-])C)C[NH+](C)C

Isomeric SMILES

CC(C)(CNS(=O)(=O)C1=CN(C(=C1)C(=O)[O-])C)C[NH+](C)C

InChI

InChI=1S/C13H23N3O4S/c1-13(2,9-15(3)4)8-14-21(19,20)10-6-11(12(17)18)16(5)7-10/h6-7,14H,8-9H2,1-5H3,(H,17,18)