1-[2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazol-1-yl]propan-2-ylsulfanylphosphonic acid

Systemtic Name: 1-[2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazol-1-yl]propan-2-ylsulfanylphosphonic acid Openeye Name: [1-methyl-2-[2-(1-naphthylmethyl)-4,5-dihydroimidazol-1-yl]ethyl]sulfanylphosphonic acid CAS Name: [1-[2-(1-naphthalenylmethyl)-4,5-dihydroimidazol-1-yl]propan-2-ylthio]phosphonic acid IUPAC Name: 1-[2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazol-1-yl]propan-2-ylsulfanylphosphonic acid Traditional Name: [[1-methyl-2-[2-(1-naphthylmethyl)-2-imidazolin-1-yl]ethyl]thio]phosphonic acid Formula: C17H21N2O3PS MolecularWeight: 364.399001

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN=C1CC2=CC=CC3=CC=CC=C32)SP(=O)(O)O

Isomeric SMILES

CC(CN1CCN=C1CC2=CC=CC3=CC=CC=C32)SP(=O)(O)O

InChI

InChI=1S/C17H21N2O3PS/c1-13(24-23(20,21)22)12-19-10-9-18-17(19)11-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,13H,9-12H2,1H3,(H2,20,21,22)