[4-[[3-azanylpropyl(1H-imidazol-2-ylmethyl)amino]methyl]phenyl]methylphosphonic acid

Systemtic Name: [4-[[3-azanylpropyl(1H-imidazol-2-ylmethyl)amino]methyl]phenyl]methylphosphonic acid Openeye Name: [4-[[3-aminopropyl(1H-imidazol-2-ylmethyl)amino]methyl]phenyl]methylphosphonic acid CAS Name: [4-[[3-aminopropyl(1H-imidazol-2-ylmethyl)amino]methyl]phenyl]methylphosphonic acid IUPAC Name: [4-[[3-aminopropyl(1H-imidazol-2-ylmethyl)amino]methyl]phenyl]methylphosphonic acid Traditional Name: [4-[[3-aminopropyl(1H-imidazol-2-ylmethyl)amino]methyl]benzyl]phosphonic acid Formula: C15H23N4O3P MolecularWeight: 338.341881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N4O3P/c16-6-1-9-19(11-15-17-7-8-18-15)10-13-2-4-14(5-3-13)12-23(20,21)22/h2-5,7-8H,1,6,9-12,16H2,(H,17,18)(H2,20,21,22)