sodium 2-[4-[[(E)-undec-9-enoyl]oxymethyl]piperazin-1-yl]ethanesulfonate

Systemtic Name: sodium 2-[4-[[(E)-undec-9-enoyl]oxymethyl]piperazin-1-yl]ethanesulfonate Openeye Name: sodium 2-[4-[[(E)-undec-9-enoyl]oxymethyl]piperazin-1-yl]ethanesulfonate CAS Name: sodium 2-[4-[[(E)-1-oxoundec-9-enoxy]methyl]-1-piperazinyl]ethanesulfonate IUPAC Name: sodium 2-[4-[[(E)-undec-9-enoyl]oxymethyl]piperazin-1-yl]ethanesulfonate Traditional Name: sodium 2-[4-[[(E)-undec-9-enoyl]oxymethyl]piperazino]ethanesulfonate Formula: C18H33N2NaO5S MolecularWeight: 412.51979

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCCCCCCCC(=O)OCN1CCN(CC1)CCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C/C=C/CCCCCCCC(=O)OCN1CCN(CC1)CCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H34N2O5S.Na/c1-2-3-4-5-6-7-8-9-10-18(21)25-17-20-13-11-19(12-14-20)15-16-26(22,23)24;/h2-3H,4-17H2,1H3,(H,22,23,24);/q;+1/p-1/b3-2+;