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

Systemtic Name: [4-[[2-azanylethyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]phenyl]methylphosphonic acid Openeye Name: [4-[[2-aminoethyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]phenyl]methylphosphonic acid CAS Name: [4-[[2-aminoethyl-[[4-(methylthio)phenyl]methyl]amino]methyl]phenyl]methylphosphonic acid IUPAC Name: [4-[[2-aminoethyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]phenyl]methylphosphonic acid Traditional Name: [4-[[2-aminoethyl-[4-(methylthio)benzyl]amino]methyl]benzyl]phosphonic acid Formula: C18H25N2O3PS MolecularWeight: 380.441461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N2O3PS/c1-25-18-8-6-16(7-9-18)13-20(11-10-19)12-15-2-4-17(5-3-15)14-24(21,22)23/h2-9H,10-14,19H2,1H3,(H2,21,22,23)