[4-[[3-azanylpropyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]phenyl]methylphosphonic acid

Systemtic Name: [4-[[3-azanylpropyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]phenyl]methylphosphonic acid Openeye Name: [4-[[3-aminopropyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]phenyl]methylphosphonic acid CAS Name: [4-[[3-aminopropyl-[[4-(methylthio)phenyl]methyl]amino]methyl]phenyl]methylphosphonic acid IUPAC Name: [4-[[3-aminopropyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]phenyl]methylphosphonic acid Traditional Name: [4-[[3-aminopropyl-[4-(methylthio)benzyl]amino]methyl]benzyl]phosphonic acid Formula: C19H27N2O3PS MolecularWeight: 394.468041

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN(CCCN)CC2=CC=C(C=C2)CP(=O)(O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CN(CCCN)CC2=CC=C(C=C2)CP(=O)(O)O

InChI

InChI=1S/C19H27N2O3PS/c1-26-19-9-7-17(8-10-19)14-21(12-2-11-20)13-16-3-5-18(6-4-16)15-25(22,23)24/h3-10H,2,11-15,20H2,1H3,(H2,22,23,24)