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

Systemtic Name: dimethyl-[3-(octadecanoylamino)propyl]-(2-oxidanyl-3-sulfo-propyl)azanium Openeye Name: (2-hydroxy-3-sulfo-propyl)-dimethyl-[3-(octadecanoylamino)propyl]ammonium CAS Name: (2-hydroxy-3-sulfopropyl)-dimethyl-[3-(1-oxooctadecylamino)propyl]ammonium IUPAC Name: (2-hydroxy-3-sulfopropyl)-dimethyl-[3-(octadecanoylamino)propyl]azanium Traditional Name: (2-hydroxy-3-sulfo-propyl)-dimethyl-(3-stearamidopropyl)ammonium Formula: C26H55N2O5S+ MolecularWeight: 507.7903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H54N2O5S/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/h25,29H,4-24H2,1-3H3,(H-,27,30,31,32,33)/p+1