3-(4-morpholin-4-ylpyridin-1-ium-1-yl)propane-1-sulfonate

Systemtic Name: 3-(4-morpholin-4-ylpyridin-1-ium-1-yl)propane-1-sulfonate Openeye Name: 3-(4-morpholinopyridin-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-[4-(4-morpholinyl)-1-pyridin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-(4-morpholin-4-ylpyridin-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(4-morpholinopyridin-1-ium-1-yl)propane-1-sulfonate Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=[N+](C=C2)CCCS(=O)(=O)[O-]

Isomeric SMILES

C1COCCN1C2=CC=[N+](C=C2)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C12H18N2O4S/c15-19(16,17)11-1-4-13-5-2-12(3-6-13)14-7-9-18-10-8-14/h2-3,5-6H,1,4,7-11H2