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

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

Systemtic Name:4-[3-(dodecanoylamino)propyl-dimethyl-azaniumyl]butane-1-sulfonate
Openeye Name:4-[3-(dodecanoylamino)propyl-dimethyl-ammonio]butane-1-sulfonate
CAS Name:4-[dimethyl-[3-(1-oxododecylamino)propyl]ammonio]-1-butanesulfonate
IUPAC Name:4-[3-(dodecanoylamino)propyl-dimethylazaniumyl]butane-1-sulfonate
Traditional Name:4-[3-(lauroylamino)propyl-dimethyl-ammonio]butane-1-sulfonate
Formula: C21H44N2O4S
MolecularWeight: 420.65006
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H44N2O4S/c1-4-5-6-7-8-9-10-11-12-16-21(24)22-17-15-19-23(2,3)18-13-14-20-28(25,26)27/h4-20H2,1-3H3,(H-,22,24,25,26,27)


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