sodium; 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate; (E)-octadec-9-enoate

Systemtic Name: sodium; 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate; (E)-octadec-9-enoate Openeye Name: sodium; 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate; (E)-octadec-9-enoate CAS Name: sodium; 2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]ethanesulfonate; (E)-9-octadecenoate IUPAC Name: sodium; 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate; (E)-octadec-9-enoate Traditional Name: sodium; 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate; (E)-octadec-9-enoate Formula: C26H51N2NaO6S MolecularWeight: 542.74771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[O-].C1CN(CC[NH+]1CCO)CCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)[O-].C1CN(CC[NH+]1CCO)CCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H34O2.C8H18N2O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14;/h9-10H,2-8,11-17H2,1H3,(H,19,20);11H,1-8H2,(H,12,13,14);/q;;+1/p-1/b10-9+;;