2-hydroxyethyl-methyl-[2-[[(E)-octadec-9-enoyl]amino]ethyl]-(2-oxidanyl-3-sulfo-propyl)azanium

Systemtic Name: 2-hydroxyethyl-methyl-[2-[[(E)-octadec-9-enoyl]amino]ethyl]-(2-oxidanyl-3-sulfo-propyl)azanium Openeye Name: 2-hydroxyethyl-(2-hydroxy-3-sulfo-propyl)-methyl-[2-[[(E)-octadec-9-enoyl]amino]ethyl]ammonium CAS Name: 2-hydroxyethyl-(2-hydroxy-3-sulfopropyl)-methyl-[2-[[(E)-1-oxooctadec-9-enyl]amino]ethyl]ammonium IUPAC Name: 2-hydroxyethyl-(2-hydroxy-3-sulfopropyl)-methyl-[2-[[(E)-octadec-9-enoyl]amino]ethyl]azanium Traditional Name: 2-hydroxyethyl-(2-hydroxy-3-sulfo-propyl)-methyl-[2-[[(E)-octadec-9-enoyl]amino]ethyl]ammonium Formula: C26H53N2O6S+ MolecularWeight: 521.77382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NCC[N+](C)(CCO)CC(CS(=O)(=O)O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NCC[N+](C)(CCO)CC(CS(=O)(=O)O)O

InChI

InChI=1S/C26H52N2O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(31)27-19-20-28(2,21-22-29)23-25(30)24-35(32,33)34/h10-11,25,29-30H,3-9,12-24H2,1-2H3,(H-,27,31,32,33,34)/p+1/b11-10+