3-[1-[(2S)-2-oxidanyl-3-prop-2-ynoxy-propyl]piperidin-1-ium-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[1-[(2S)-2-oxidanyl-3-prop-2-ynoxy-propyl]piperidin-1-ium-1-yl]propane-1-sulfonic acid Openeye Name: 3-[1-[(2S)-2-hydroxy-3-prop-2-ynoxy-propyl]piperidin-1-ium-1-yl]propane-1-sulfonic acid CAS Name: 3-[1-[(2S)-2-hydroxy-3-prop-2-ynoxypropyl]-1-piperidin-1-iumyl]-1-propanesulfonic acid IUPAC Name: 3-[1-[(2S)-2-hydroxy-3-prop-2-ynoxypropyl]piperidin-1-ium-1-yl]propane-1-sulfonic acid Traditional Name: 3-[1-[(2S)-2-hydroxy-3-propargyloxy-propyl]piperidin-1-ium-1-yl]propane-1-sulfonic acid Formula: C14H26NO5S+ MolecularWeight: 320.42494

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOCC(C[N+]1(CCCCC1)CCCS(=O)(=O)O)O

Isomeric SMILES

C#CCOC[C@H](C[N+]1(CCCCC1)CCCS(=O)(=O)O)O

InChI

InChI=1S/C14H25NO5S/c1-2-10-20-13-14(16)12-15(7-4-3-5-8-15)9-6-11-21(17,18)19/h1,14,16H,3-13H2/p+1/t14-/m0/s1