dimethyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]-(2-oxidanyl-3-sulfo-propyl)azanium

Systemtic Name: dimethyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]-(2-oxidanyl-3-sulfo-propyl)azanium Openeye Name: (2-hydroxy-3-sulfo-propyl)-dimethyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]ammonium CAS Name: (2-hydroxy-3-sulfopropyl)-dimethyl-[3-[[(Z)-1-oxooctadec-9-enyl]amino]propyl]ammonium IUPAC Name: (2-hydroxy-3-sulfopropyl)-dimethyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]azanium Traditional Name: (2-hydroxy-3-sulfo-propyl)-dimethyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]ammonium Formula: C26H53N2O5S+ MolecularWeight: 505.77442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O

InChI

InChI=1S/C26H52N2O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-26(30)27-21-19-22-28(2,3)23-25(29)24-34(31,32)33/h11-12,25,29H,4-10,13-24H2,1-3H3,(H-,27,30,31,32,33)/p+1/b12-11-