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

Systemtic Name: 1-[2-[2-(1-naphthalen-1-ylethyl)-4,5-dihydroimidazol-1-yl]ethylamino]propan-2-ylsulfanylphosphonic acid Openeye Name: [1-methyl-2-[2-[2-[1-(1-naphthyl)ethyl]-4,5-dihydroimidazol-1-yl]ethylamino]ethyl]sulfanylphosphonic acid CAS Name: [1-[2-[2-[1-(1-naphthalenyl)ethyl]-4,5-dihydroimidazol-1-yl]ethylamino]propan-2-ylthio]phosphonic acid IUPAC Name: 1-[2-[2-(1-naphthalen-1-ylethyl)-4,5-dihydroimidazol-1-yl]ethylamino]propan-2-ylsulfanylphosphonic acid Traditional Name: [[1-methyl-2-[2-[2-[1-(1-naphthyl)ethyl]-2-imidazolin-1-yl]ethylamino]ethyl]thio]phosphonic acid Formula: C20H28N3O3PS MolecularWeight: 421.493381

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNCCN1CCN=C1C(C)C2=CC=CC3=CC=CC=C32)SP(=O)(O)O

Isomeric SMILES

CC(CNCCN1CCN=C1C(C)C2=CC=CC3=CC=CC=C32)SP(=O)(O)O

InChI

InChI=1S/C20H28N3O3PS/c1-15(28-27(24,25)26)14-21-10-12-23-13-11-22-20(23)16(2)18-9-5-7-17-6-3-4-8-19(17)18/h3-9,15-16,21H,10-14H2,1-2H3,(H2,24,25,26)