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

Systemtic Name: [4-[[3-azanylpropyl(cyclohexylmethyl)amino]methyl]phenyl]methylphosphonic acid Openeye Name: [4-[[3-aminopropyl(cyclohexylmethyl)amino]methyl]phenyl]methylphosphonic acid CAS Name: [4-[[3-aminopropyl(cyclohexylmethyl)amino]methyl]phenyl]methylphosphonic acid IUPAC Name: [4-[[3-aminopropyl(cyclohexylmethyl)amino]methyl]phenyl]methylphosphonic acid Traditional Name: [4-[[3-aminopropyl(cyclohexylmethyl)amino]methyl]benzyl]phosphonic acid Formula: C18H31N2O3P MolecularWeight: 354.424101

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN(CCCN)CC2=CC=C(C=C2)CP(=O)(O)O

Isomeric SMILES

C1CCC(CC1)CN(CCCN)CC2=CC=C(C=C2)CP(=O)(O)O

InChI

InChI=1S/C18H31N2O3P/c19-11-4-12-20(13-16-5-2-1-3-6-16)14-17-7-9-18(10-8-17)15-24(21,22)23/h7-10,16H,1-6,11-15,19H2,(H2,21,22,23)