[1-oxidanyl-1-phosphono-4-(1,1,3-trimethylpiperidin-1-ium-2-yl)butyl]phosphonic acid

Systemtic Name: [1-oxidanyl-1-phosphono-4-(1,1,3-trimethylpiperidin-1-ium-2-yl)butyl]phosphonic acid Openeye Name: [1-hydroxy-1-phosphono-4-(1,1,3-trimethylpiperidin-1-ium-2-yl)butyl]phosphonic acid CAS Name: [1-hydroxy-1-phosphono-4-(1,1,3-trimethyl-2-piperidin-1-iumyl)butyl]phosphonic acid IUPAC Name: [1-hydroxy-1-phosphono-4-(1,1,3-trimethylpiperidin-1-ium-2-yl)butyl]phosphonic acid Traditional Name: [1-hydroxy-1-phosphono-4-(1,1,3-trimethylpiperidin-1-ium-2-yl)butyl]phosphonic acid Formula: C12H28NO7P2+ MolecularWeight: 360.300742

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[N+](C1CCCC(O)(P(=O)(O)O)P(=O)(O)O)(C)C

Isomeric SMILES

CC1CCC[N+](C1CCCC(O)(P(=O)(O)O)P(=O)(O)O)(C)C

InChI

InChI=1S/C12H27NO7P2/c1-10-6-5-9-13(2,3)11(10)7-4-8-12(14,21(15,16)17)22(18,19)20/h10-11,14H,4-9H2,1-3H3,(H3-,15,16,17,18,19,20)/p+1