[4-[[3-azanylpropyl(thiophen-2-ylmethyl)amino]methyl]phenyl]methylphosphonic acid

Systemtic Name: [4-[[3-azanylpropyl(thiophen-2-ylmethyl)amino]methyl]phenyl]methylphosphonic acid Openeye Name: [4-[[3-aminopropyl(2-thienylmethyl)amino]methyl]phenyl]methylphosphonic acid CAS Name: [4-[[3-aminopropyl(thiophen-2-ylmethyl)amino]methyl]phenyl]methylphosphonic acid IUPAC Name: [4-[[3-aminopropyl(thiophen-2-ylmethyl)amino]methyl]phenyl]methylphosphonic acid Traditional Name: [4-[[3-aminopropyl(2-thenyl)amino]methyl]benzyl]phosphonic acid Formula: C16H23N2O3PS MolecularWeight: 354.404181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N2O3PS/c17-8-2-9-18(12-16-3-1-10-23-16)11-14-4-6-15(7-5-14)13-22(19,20)21/h1,3-7,10H,2,8-9,11-13,17H2,(H2,19,20,21)