2-azanyl-2-(hydroxymethyl)butane-1,4-diol; 3-[3-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid

Systemtic Name: 2-azanyl-2-(hydroxymethyl)butane-1,4-diol; 3-[3-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid Openeye Name: 2-amino-2-(hydroxymethyl)butane-1,4-diol; 3-[3-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid CAS Name: 2-amino-2-(hydroxymethyl)butane-1,4-diol; 3-[3-(2-hydroxyethyl)-1-piperazinyl]-1-propanesulfonic acid IUPAC Name: 2-amino-2-(hydroxymethyl)butane-1,4-diol; 3-[3-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid Traditional Name: 2-amino-2-methylol-butane-1,4-diol; 3-[3-(2-hydroxyethyl)piperazino]propane-1-sulfonic acid Formula: C14H33N3O7S MolecularWeight: 387.49272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CCO)CCCS(=O)(=O)O.C(CO)C(CO)(CO)N

Isomeric SMILES

C1CN(CC(N1)CCO)CCCS(=O)(=O)O.C(CO)C(CO)(CO)N

InChI

InChI=1S/C9H20N2O4S.C5H13NO3/c12-6-2-9-8-11(5-3-10-9)4-1-7-16(13,14)15;6-5(3-8,4-9)1-2-7/h9-10,12H,1-8H2,(H,13,14,15);7-9H,1-4,6H2