1-(2-hydroxyethyl)-3-propyl-piperazin-1-ium-1-sulfonic acid

Systemtic Name: 1-(2-hydroxyethyl)-3-propyl-piperazin-1-ium-1-sulfonic acid Openeye Name: 1-(2-hydroxyethyl)-3-propyl-piperazin-1-ium-1-sulfonic acid CAS Name: 1-(2-hydroxyethyl)-3-propyl-1-piperazin-1-iumsulfonic acid IUPAC Name: 1-(2-hydroxyethyl)-3-propylpiperazin-1-ium-1-sulfonic acid Traditional Name: 1-(2-hydroxyethyl)-3-propyl-piperazin-1-ium-1-sulfonic acid Formula: C9H21N2O4S+ MolecularWeight: 253.33904

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C[N+](CCN1)(CCO)S(=O)(=O)O

Isomeric SMILES

CCCC1C[N+](CCN1)(CCO)S(=O)(=O)O

InChI

InChI=1S/C9H20N2O4S/c1-2-3-9-8-11(6-7-12,5-4-10-9)16(13,14)15/h9-10,12H,2-8H2,1H3/p+1