[(S)-[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]-phosphonato-methyl]-(phenylmethyl)azanium

Systemtic Name: [(S)-[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]-phosphonato-methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(S)-[3-(2-oxochromen-3-yl)-1-phenyl-pyrazol-4-yl]-phosphonato-methyl]ammonium CAS Name: [(S)-[3-(2-oxo-1-benzopyran-3-yl)-1-phenyl-4-pyrazolyl]-phosphonatomethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(S)-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]-phosphonatomethyl]azanium Traditional Name: benzyl-[(S)-[3-(2-ketochromen-3-yl)-1-phenyl-pyrazol-4-yl]-phosphonato-methyl]ammonium Formula: C26H21N3O5P- MolecularWeight: 486.435801

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]C(C2=CN(N=C2C3=CC4=CC=CC=C4OC3=O)C5=CC=CC=C5)P(=O)([O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+][C@H](C2=CN(N=C2C3=CC4=CC=CC=C4OC3=O)C5=CC=CC=C5)P(=O)([O-])[O-]

InChI

InChI=1S/C26H22N3O5P/c30-26-21(15-19-11-7-8-14-23(19)34-26)24-22(17-29(28-24)20-12-5-2-6-13-20)25(35(31,32)33)27-16-18-9-3-1-4-10-18/h1-15,17,25,27H,16H2,(H2,31,32,33)/p-1/t25-/m0/s1