methyl 5-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: methyl 5-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylate Openeye Name: methyl 5-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylate CAS Name: 5-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]sulfonyl]-1-methyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate Traditional Name: 5-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylic acid methyl ester Formula: C13H22N3O5S+ MolecularWeight: 332.39588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1S(=O)(=O)N2CC[NH+](CC2)CCO)C(=O)OC

Isomeric SMILES

CN1C(=CC=C1S(=O)(=O)N2CC[NH+](CC2)CCO)C(=O)OC

InChI

InChI=1S/C13H21N3O5S/c1-14-11(13(18)21-2)3-4-12(14)22(19,20)16-7-5-15(6-8-16)9-10-17/h3-4,17H,5-10H2,1-2H3/p+1