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

Systemtic Name: (phenylmethyl)-[(S)-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]-phosphonato-methyl]azanium Openeye Name: benzyl-[(S)-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]-phosphonato-methyl]ammonium CAS Name: (phenylmethyl)-[(S)-[1-phenyl-3-(4-phenylphenyl)-4-pyrazolyl]-phosphonatomethyl]ammonium IUPAC Name: benzyl-[(S)-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]-phosphonatomethyl]azanium Traditional Name: benzyl-[(S)-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]-phosphonato-methyl]ammonium Formula: C29H25N3O3P- MolecularWeight: 494.500861

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]C(C2=CN(N=C2C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=CC=C5)P(=O)([O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+][C@H](C2=CN(N=C2C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=CC=C5)P(=O)([O-])[O-]

InChI

InChI=1S/C29H26N3O3P/c33-36(34,35)29(30-20-22-10-4-1-5-11-22)27-21-32(26-14-8-3-9-15-26)31-28(27)25-18-16-24(17-19-25)23-12-6-2-7-13-23/h1-19,21,29-30H,20H2,(H2,33,34,35)/p-1/t29-/m0/s1