dimethyl-[3-(16-methylheptadecanoylamino)propyl]-(2-oxidanyl-3-sulfo-propyl)azanium

Systemtic Name: dimethyl-[3-(16-methylheptadecanoylamino)propyl]-(2-oxidanyl-3-sulfo-propyl)azanium Openeye Name: (2-hydroxy-3-sulfo-propyl)-dimethyl-[3-(16-methylheptadecanoylamino)propyl]ammonium CAS Name: (2-hydroxy-3-sulfopropyl)-dimethyl-[3-[(16-methyl-1-oxoheptadecyl)amino]propyl]ammonium IUPAC Name: (2-hydroxy-3-sulfopropyl)-dimethyl-[3-(16-methylheptadecanoylamino)propyl]azanium Traditional Name: (2-hydroxy-3-sulfo-propyl)-dimethyl-[3-(16-methylheptadecanoylamino)propyl]ammonium Formula: C26H55N2O5S+ MolecularWeight: 507.7903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H54N2O5S/c1-24(2)18-15-13-11-9-7-5-6-8-10-12-14-16-19-26(30)27-20-17-21-28(3,4)22-25(29)23-34(31,32)33/h24-25,29H,5-23H2,1-4H3,(H-,27,30,31,32,33)/p+1