[3,4-bis(oxidanyl)-4-oxidanylidene-3-phosphono-butyl]-ethyl-methyl-pentyl-azanium

Systemtic Name: [3,4-bis(oxidanyl)-4-oxidanylidene-3-phosphono-butyl]-ethyl-methyl-pentyl-azanium Openeye Name: (3,4-dihydroxy-4-oxo-3-phosphono-butyl)-ethyl-methyl-pentyl-ammonium CAS Name: (3,4-dihydroxy-4-oxo-3-phosphonobutyl)-ethyl-methyl-pentylammonium IUPAC Name: (3,4-dihydroxy-4-oxo-3-phosphonobutyl)-ethyl-methyl-pentylazanium Traditional Name: amyl-(3,4-dihydroxy-4-keto-3-phosphono-butyl)-ethyl-methyl-ammonium Formula: C12H27NO6P+ MolecularWeight: 312.319641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+](C)(CC)CCC(C(=O)O)(O)P(=O)(O)O

Isomeric SMILES

CCCCC[N+](C)(CC)CCC(C(=O)O)(O)P(=O)(O)O

InChI

InChI=1S/C12H26NO6P/c1-4-6-7-9-13(3,5-2)10-8-12(16,11(14)15)20(17,18)19/h16H,4-10H2,1-3H3,(H2-,14,15,17,18,19)/p+1