4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]-1H-pyrrole-2-carboxylate

Systemtic Name: 4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]-1H-pyrrole-2-carboxylate Openeye Name: 4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]-1H-pyrrole-2-carboxylate CAS Name: 4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]-1H-pyrrole-2-carboxylate IUPAC Name: 4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]-1H-pyrrole-2-carboxylate Formula: C11H17N3O4S MolecularWeight: 287.33538

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)S(=O)(=O)C2=CNC(=C2)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCCN(CC1)S(=O)(=O)C2=CNC(=C2)C(=O)[O-]

InChI

InChI=1S/C11H17N3O4S/c1-13-3-2-4-14(6-5-13)19(17,18)9-7-10(11(15)16)12-8-9/h7-8,12H,2-6H2,1H3,(H,15,16)