3-[3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[3-[(2S)-1-methyl-2-pyrrolidinyl]-1-pyridin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium-1-yl]propane-1-sulfonate Formula: C13H20N2O3S MolecularWeight: 284.3745

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C2=C[N+](=CC=C2)CCCS(=O)(=O)[O-]

Isomeric SMILES

CN1CCC[C@H]1C2=C[N+](=CC=C2)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C13H20N2O3S/c1-14-7-3-6-13(14)12-5-2-8-15(11-12)9-4-10-19(16,17)18/h2,5,8,11,13H,3-4,6-7,9-10H2,1H3/t13-/m0/s1