2-[3-[2-(1-naphthalen-1-ylethyl)-4,5-dihydroimidazol-1-yl]propylamino]ethylsulfanylphosphonic acid

Systemtic Name: 2-[3-[2-(1-naphthalen-1-ylethyl)-4,5-dihydroimidazol-1-yl]propylamino]ethylsulfanylphosphonic acid Openeye Name: 2-[3-[2-[1-(1-naphthyl)ethyl]-4,5-dihydroimidazol-1-yl]propylamino]ethylsulfanylphosphonic acid CAS Name: [2-[3-[2-[1-(1-naphthalenyl)ethyl]-4,5-dihydroimidazol-1-yl]propylamino]ethylthio]phosphonic acid IUPAC Name: 2-[3-[2-(1-naphthalen-1-ylethyl)-4,5-dihydroimidazol-1-yl]propylamino]ethylsulfanylphosphonic acid Traditional Name: [2-[3-[2-[1-(1-naphthyl)ethyl]-2-imidazolin-1-yl]propylamino]ethylthio]phosphonic acid Formula: C20H28N3O3PS MolecularWeight: 421.493381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)C3=NCCN3CCCNCCSP(=O)(O)O

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)C3=NCCN3CCCNCCSP(=O)(O)O

InChI

InChI=1S/C20H28N3O3PS/c1-16(18-9-4-7-17-6-2-3-8-19(17)18)20-22-11-14-23(20)13-5-10-21-12-15-28-27(24,25)26/h2-4,6-9,16,21H,5,10-15H2,1H3,(H2,24,25,26)