[1-phosphono-2-(2,4,5,6-tetraethyl-1-methyl-pyridin-1-ium-3-yl)ethyl]phosphonic acid

Systemtic Name: [1-phosphono-2-(2,4,5,6-tetraethyl-1-methyl-pyridin-1-ium-3-yl)ethyl]phosphonic acid Openeye Name: [1-phosphono-2-(2,4,5,6-tetraethyl-1-methyl-pyridin-1-ium-3-yl)ethyl]phosphonic acid CAS Name: [1-phosphono-2-(2,4,5,6-tetraethyl-1-methyl-3-pyridin-1-iumyl)ethyl]phosphonic acid IUPAC Name: [1-phosphono-2-(2,4,5,6-tetraethyl-1-methylpyridin-1-ium-3-yl)ethyl]phosphonic acid Traditional Name: [1-phosphono-2-(2,4,5,6-tetraethyl-1-methyl-pyridin-1-ium-3-yl)ethyl]phosphonic acid Formula: C16H30NO6P2+ MolecularWeight: 394.360022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C([N+](=C1CC)C)CC)CC(P(=O)(O)O)P(=O)(O)O)CC

Isomeric SMILES

CCC1=C(C(=C([N+](=C1CC)C)CC)CC(P(=O)(O)O)P(=O)(O)O)CC

InChI

InChI=1S/C16H29NO6P2/c1-6-11-12(7-2)14(8-3)17(5)15(9-4)13(11)10-16(24(18,19)20)25(21,22)23/h16H,6-10H2,1-5H3,(H3-,18,19,20,21,22,23)/p+1