3-(1,2,3,4-tetrahydroisoquinolin-1-yl)propylsulfanylphosphonic acid

Systemtic Name: 3-(1,2,3,4-tetrahydroisoquinolin-1-yl)propylsulfanylphosphonic acid Openeye Name: 3-(1,2,3,4-tetrahydroisoquinolin-1-yl)propylsulfanylphosphonic acid CAS Name: [3-(1,2,3,4-tetrahydroisoquinolin-1-yl)propylthio]phosphonic acid IUPAC Name: 3-(1,2,3,4-tetrahydroisoquinolin-1-yl)propylsulfanylphosphonic acid Traditional Name: [3-(1,2,3,4-tetrahydroisoquinolin-1-yl)propylthio]phosphonic acid Formula: C12H18NO3PS MolecularWeight: 287.314981

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=CC=CC=C21)CCCSP(=O)(O)O

Isomeric SMILES

C1CNC(C2=CC=CC=C21)CCCSP(=O)(O)O

InChI

InChI=1S/C12H18NO3PS/c14-17(15,16)18-9-3-6-12-11-5-2-1-4-10(11)7-8-13-12/h1-2,4-5,12-13H,3,6-9H2,(H2,14,15,16)