2-[3-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)propanoylamino]-2-methyl-propane-1-sulfonate

Systemtic Name: 2-[3-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)propanoylamino]-2-methyl-propane-1-sulfonate Openeye Name: 2-[3-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)propanoylamino]-2-methyl-propane-1-sulfonate CAS Name: 2-[[3-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-oxopropyl]amino]-2-methyl-1-propanesulfonate IUPAC Name: 2-[3-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)propanoylamino]-2-methylpropane-1-sulfonate Traditional Name: 2-[3-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)propanoylamino]-2-methyl-propane-1-sulfonate Formula: C13H25N3O4S MolecularWeight: 319.4203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS(=O)(=O)[O-])NC(=O)CC[N+]12CCN(CC1)CC2

Isomeric SMILES

CC(C)(CS(=O)(=O)[O-])NC(=O)CC[N+]12CCN(CC1)CC2

InChI

InChI=1S/C13H25N3O4S/c1-13(2,11-21(18,19)20)14-12(17)3-7-16-8-4-15(5-9-16)6-10-16/h3-11H2,1-2H3,(H-,14,17,18,19,20)