6-(4-methyl-3-sulfo-pyridin-1-ium-1-yl)hexanoic acid

Systemtic Name: 6-(4-methyl-3-sulfo-pyridin-1-ium-1-yl)hexanoic acid Openeye Name: 6-(4-methyl-3-sulfo-pyridin-1-ium-1-yl)hexanoic acid CAS Name: 6-(4-methyl-3-sulfo-1-pyridin-1-iumyl)hexanoic acid IUPAC Name: 6-(4-methyl-3-sulfopyridin-1-ium-1-yl)hexanoic acid Traditional Name: 6-(4-methyl-3-sulfo-pyridin-1-ium-1-yl)hexanoic acid Formula: C12H18NO5S+ MolecularWeight: 288.34002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=[N+](C=C1)CCCCCC(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=[N+](C=C1)CCCCCC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H17NO5S/c1-10-6-8-13(9-11(10)19(16,17)18)7-4-2-3-5-12(14)15/h6,8-9H,2-5,7H2,1H3,(H-,14,15,16,17,18)/p+1