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

Systemtic Name: [2-(1,2,4,5,6-pentaethylpyridin-1-ium-3-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(1,2,4,5,6-pentaethylpyridin-1-ium-3-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(1,2,4,5,6-pentaethyl-3-pyridin-1-iumyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(1,2,4,5,6-pentaethylpyridin-1-ium-3-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(1,2,4,5,6-pentaethylpyridin-1-ium-3-yl)-1-phosphono-ethyl]phosphonic acid Formula: C17H32NO6P2+ MolecularWeight: 408.386602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H31NO6P2/c1-6-12-13(7-2)15(8-3)18(10-5)16(9-4)14(12)11-17(25(19,20)21)26(22,23)24/h17H,6-11H2,1-5H3,(H3-,19,20,21,22,23,24)/p+1