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4-[dimethyl-[3-(octadecanoylamino)propyl]azaniumyl]butane-1-sulfonate

Systemtic Name:	4-[dimethyl-[3-(octadecanoylamino)propyl]azaniumyl]butane-1-sulfonate
Openeye Name:	4-[dimethyl-[3-(octadecanoylamino)propyl]ammonio]butane-1-sulfonate
CAS Name:	4-[dimethyl-[3-(1-oxooctadecylamino)propyl]ammonio]-1-butanesulfonate
IUPAC Name:	4-[dimethyl-[3-(octadecanoylamino)propyl]azaniumyl]butane-1-sulfonate
Traditional Name:	4-[dimethyl(3-stearamidopropyl)ammonio]butane-1-sulfonate
Formula:	C₂₇H₅₆N₂O₄S
MolecularWeight:	504.80954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C27H56N2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27(30)28-23-21-25-29(2,3)24-19-20-26-34(31,32)33/h4-26H2,1-3H3,(H-,28,30,31,32,33)

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