3-[1-[3-(4-methylpyridin-1-ium-1-yl)propyl]-4-oxidanyl-piperidin-1-ium-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[1-[3-(4-methylpyridin-1-ium-1-yl)propyl]-4-oxidanyl-piperidin-1-ium-1-yl]propane-1-sulfonic acid Openeye Name: 3-[4-hydroxy-1-[3-(4-methylpyridin-1-ium-1-yl)propyl]piperidin-1-ium-1-yl]propane-1-sulfonic acid CAS Name: 3-[4-hydroxy-1-[3-(4-methyl-1-pyridin-1-iumyl)propyl]-1-piperidin-1-iumyl]-1-propanesulfonic acid IUPAC Name: 3-[4-hydroxy-1-[3-(4-methylpyridin-1-ium-1-yl)propyl]piperidin-1-ium-1-yl]propane-1-sulfonic acid Traditional Name: 3-[4-hydroxy-1-[3-(4-methylpyridin-1-ium-1-yl)propyl]piperidin-1-ium-1-yl]propane-1-sulfonic acid Formula: C17H30N2O4S+2 MolecularWeight: 358.4961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CCC[N+]2(CCC(CC2)O)CCCS(=O)(=O)O

Isomeric SMILES

CC1=CC=[N+](C=C1)CCC[N+]2(CCC(CC2)O)CCCS(=O)(=O)O

InChI

InChI=1S/C17H29N2O4S/c1-16-4-9-18(10-5-16)8-2-11-19(12-3-15-24(21,22)23)13-6-17(20)7-14-19/h4-5,9-10,17,20H,2-3,6-8,11-15H2,1H3/q+1/p+1