[4-[[2-azanylethyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]phenyl]methylphosphonic acid

Systemtic Name: [4-[[2-azanylethyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]phenyl]methylphosphonic acid Openeye Name: [4-[[2-aminoethyl-[(3-methyl-2-thienyl)methyl]amino]methyl]phenyl]methylphosphonic acid CAS Name: [4-[[2-aminoethyl-[(3-methyl-2-thiophenyl)methyl]amino]methyl]phenyl]methylphosphonic acid IUPAC Name: [4-[[2-aminoethyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]phenyl]methylphosphonic acid Traditional Name: [4-[[2-aminoethyl-[(3-methyl-2-thienyl)methyl]amino]methyl]benzyl]phosphonic acid Formula: C16H23N2O3PS MolecularWeight: 354.404181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(CCN)CC2=CC=C(C=C2)CP(=O)(O)O

Isomeric SMILES

CC1=C(SC=C1)CN(CCN)CC2=CC=C(C=C2)CP(=O)(O)O

InChI

InChI=1S/C16H23N2O3PS/c1-13-6-9-23-16(13)11-18(8-7-17)10-14-2-4-15(5-3-14)12-22(19,20)21/h2-6,9H,7-8,10-12,17H2,1H3,(H2,19,20,21)