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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(CCN)CC2=CC=NC=C2)CP(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1CN(CCN)CC2=CC=NC=C2)CP(=O)(O)O

InChI

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