(phenylmethyl)-[(S)-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)-phosphonato-methyl]azanium

Systemtic Name: (phenylmethyl)-[(S)-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)-phosphonato-methyl]azanium Openeye Name: benzyl-[(S)-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]-phosphonato-methyl]ammonium CAS Name: (phenylmethyl)-[(S)-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]-phosphonatomethyl]ammonium IUPAC Name: benzyl-[(S)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-phosphonatomethyl]azanium Traditional Name: benzyl-[(S)-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]-phosphonato-methyl]ammonium Formula: C22H20N4O3P- MolecularWeight: 419.392961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]C(C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)P(=O)([O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+][C@H](C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)P(=O)([O-])[O-]

InChI

InChI=1S/C22H21N4O3P/c27-30(28,29)22(24-14-17-8-3-1-4-9-17)20-16-26(19-11-5-2-6-12-19)25-21(20)18-10-7-13-23-15-18/h1-13,15-16,22,24H,14H2,(H2,27,28,29)/p-1/t22-/m0/s1