1-[[(2-methylpiperidin-1-ium-1-ylidene)amino]methyl-oxidanyl-phosphoryl]butylphosphonic acid

Systemtic Name: 1-[[(2-methylpiperidin-1-ium-1-ylidene)amino]methyl-oxidanyl-phosphoryl]butylphosphonic acid Openeye Name: 1-[hydroxy-[[(2-methylpiperidin-1-ium-1-ylidene)amino]methyl]phosphoryl]butylphosphonic acid CAS Name: 1-[hydroxy-[[(2-methyl-1-piperidin-1-iumylidene)amino]methyl]phosphoryl]butylphosphonic acid IUPAC Name: 1-[hydroxy-[[(2-methylpiperidin-1-ium-1-ylidene)amino]methyl]phosphoryl]butylphosphonic acid Traditional Name: 1-[hydroxy-[[(2-methylpiperidin-1-ium-1-ylidene)amino]methyl]phosphoryl]butylphosphonic acid Formula: C11H25N2O5P2+ MolecularWeight: 327.274122

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(P(=O)(CN=[N+]1CCCCC1C)O)P(=O)(O)O

Isomeric SMILES

CCCC(P(=O)(CN=[N+]1CCCCC1C)O)P(=O)(O)O

InChI

InChI=1S/C11H24N2O5P2/c1-3-6-11(20(16,17)18)19(14,15)9-12-13-8-5-4-7-10(13)2/h10-11H,3-9H2,1-2H3,(H2-,14,15,16,17,18)/p+1