[4-[[2-azanylethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methylphosphonic acid

Systemtic Name: [4-[[2-azanylethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methylphosphonic acid Openeye Name: [4-[[2-aminoethyl(2-pyridylmethyl)amino]methyl]phenyl]methylphosphonic acid CAS Name: [4-[[2-aminoethyl(2-pyridinylmethyl)amino]methyl]phenyl]methylphosphonic acid IUPAC Name: [4-[[2-aminoethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methylphosphonic acid Traditional Name: [4-[[2-aminoethyl(2-pyridylmethyl)amino]methyl]benzyl]phosphonic acid Formula: C16H22N3O3P MolecularWeight: 335.337941

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN(CCN)CC2=CC=C(C=C2)CP(=O)(O)O

Isomeric SMILES

C1=CC=NC(=C1)CN(CCN)CC2=CC=C(C=C2)CP(=O)(O)O

InChI

InChI=1S/C16H22N3O3P/c17-8-10-19(12-16-3-1-2-9-18-16)11-14-4-6-15(7-5-14)13-23(20,21)22/h1-7,9H,8,10-13,17H2,(H2,20,21,22)