2-azanyl-1-(2-phosphonatopiperidin-1-yl)propan-1-one; 1,1'-biphenyl; ethanoate

Systemtic Name: 2-azanyl-1-(2-phosphonatopiperidin-1-yl)propan-1-one; 1,1'-biphenyl; ethanoate Openeye Name: 2-amino-1-(2-phosphonato-1-piperidyl)propan-1-one; biphenyl; acetate CAS Name: 2-amino-1-(2-phosphonato-1-piperidinyl)-1-propanone; 1,1'-biphenyl; acetate IUPAC Name: 2-amino-1-(2-phosphonatopiperidin-1-yl)propan-1-one; 1,1'-biphenyl; acetate Traditional Name: 2-amino-1-(2-phosphonatopiperidino)propan-1-one; biphenyl; acetate Formula: C22H28N2O6P-3 MolecularWeight: 447.441281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1P(=O)([O-])[O-])N.CC(=O)[O-].C1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)N1CCCCC1P(=O)([O-])[O-])N.CC(=O)[O-].C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C12H10.C8H17N2O4P.C2H4O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-6(9)8(11)10-5-3-2-4-7(10)15(12,13)14;1-2(3)4/h1-10H;6-7H,2-5,9H2,1H3,(H2,12,13,14);1H3,(H,3,4)/p-3