3-[dimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azaniumyl]propane-1-sulfonate

Systemtic Name: 3-[dimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azaniumyl]propane-1-sulfonate Openeye Name: 3-[dimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]ammonio]propane-1-sulfonate CAS Name: 3-[dimethyl-[2-[(2,3,3-trimethyl-1-oxobutyl)amino]ethyl]ammonio]-1-propanesulfonate IUPAC Name: 3-[dimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]azaniumyl]propane-1-sulfonate Traditional Name: 3-[dimethyl-[2-(2,3,3-trimethylbutanoylamino)ethyl]ammonio]propane-1-sulfonate Formula: C14H30N2O4S MolecularWeight: 322.464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC[N+](C)(C)CCCS(=O)(=O)[O-])C(C)(C)C

Isomeric SMILES

CC(C(=O)NCC[N+](C)(C)CCCS(=O)(=O)[O-])C(C)(C)C

InChI

InChI=1S/C14H30N2O4S/c1-12(14(2,3)4)13(17)15-8-10-16(5,6)9-7-11-21(18,19)20/h12H,7-11H2,1-6H3,(H-,15,17,18,19,20)