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

Systemtic Name: 3-[4-[3-(4-methylpyridin-1-ium-1-yl)propyl]morpholin-4-ium-4-yl]propane-1-sulfonic acid Openeye Name: 3-[4-[3-(4-methylpyridin-1-ium-1-yl)propyl]morpholin-4-ium-4-yl]propane-1-sulfonic acid CAS Name: 3-[4-[3-(4-methyl-1-pyridin-1-iumyl)propyl]-4-morpholin-4-iumyl]-1-propanesulfonic acid IUPAC Name: 3-[4-[3-(4-methylpyridin-1-ium-1-yl)propyl]morpholin-4-ium-4-yl]propane-1-sulfonic acid Traditional Name: 3-[4-[3-(4-methylpyridin-1-ium-1-yl)propyl]morpholin-4-ium-4-yl]propane-1-sulfonic acid Formula: C16H28N2O4S+2 MolecularWeight: 344.46952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CCC[N+]2(CCOCC2)CCCS(=O)(=O)O

Isomeric SMILES

CC1=CC=[N+](C=C1)CCC[N+]2(CCOCC2)CCCS(=O)(=O)O

InChI

InChI=1S/C16H27N2O4S/c1-16-4-7-17(8-5-16)6-2-9-18(11-13-22-14-12-18)10-3-15-23(19,20)21/h4-5,7-8H,2-3,6,9-15H2,1H3/q+1/p+1