[1-[(2-methylpiperidin-1-ium-1-ylidene)amino]ethyl-oxidanyl-phosphoryl]methylphosphonic acid

Systemtic Name: [1-[(2-methylpiperidin-1-ium-1-ylidene)amino]ethyl-oxidanyl-phosphoryl]methylphosphonic acid Openeye Name: [hydroxy-[1-[(2-methylpiperidin-1-ium-1-ylidene)amino]ethyl]phosphoryl]methylphosphonic acid CAS Name: [hydroxy-[1-[(2-methyl-1-piperidin-1-iumylidene)amino]ethyl]phosphoryl]methylphosphonic acid IUPAC Name: [hydroxy-[1-[(2-methylpiperidin-1-ium-1-ylidene)amino]ethyl]phosphoryl]methylphosphonic acid Traditional Name: [hydroxy-[1-[(2-methylpiperidin-1-ium-1-ylidene)amino]ethyl]phosphoryl]methylphosphonic acid Formula: C9H21N2O5P2+ MolecularWeight: 299.220962

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[N+]1=NC(C)P(=O)(CP(=O)(O)O)O

Isomeric SMILES

CC1CCCC[N+]1=NC(C)P(=O)(CP(=O)(O)O)O

InChI

InChI=1S/C9H20N2O5P2/c1-8-5-3-4-6-11(8)10-9(2)17(12,13)7-18(14,15)16/h8-9H,3-7H2,1-2H3,(H2-,12,13,14,15,16)/p+1