[4-[[2-azanylethyl(1H-imidazol-2-ylmethyl)amino]methyl]phenyl]methylphosphonic acid

Systemtic Name: [4-[[2-azanylethyl(1H-imidazol-2-ylmethyl)amino]methyl]phenyl]methylphosphonic acid Openeye Name: [4-[[2-aminoethyl(1H-imidazol-2-ylmethyl)amino]methyl]phenyl]methylphosphonic acid CAS Name: [4-[[2-aminoethyl(1H-imidazol-2-ylmethyl)amino]methyl]phenyl]methylphosphonic acid IUPAC Name: [4-[[2-aminoethyl(1H-imidazol-2-ylmethyl)amino]methyl]phenyl]methylphosphonic acid Traditional Name: [4-[[2-aminoethyl(1H-imidazol-2-ylmethyl)amino]methyl]benzyl]phosphonic acid Formula: C14H21N4O3P MolecularWeight: 324.315301

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(CCN)CC2=NC=CN2)CP(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1CN(CCN)CC2=NC=CN2)CP(=O)(O)O

InChI

InChI=1S/C14H21N4O3P/c15-5-8-18(10-14-16-6-7-17-14)9-12-1-3-13(4-2-12)11-22(19,20)21/h1-4,6-7H,5,8-11,15H2,(H,16,17)(H2,19,20,21)