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

Systemtic Name: [(S)-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-phosphonato-methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(S)-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-phosphonato-methyl]ammonium CAS Name: [(S)-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-phosphonatomethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(S)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-phosphonatomethyl]azanium Traditional Name: benzyl-[(S)-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-phosphonato-methyl]ammonium Formula: C23H20BrN3O3P- MolecularWeight: 497.300961

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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)Br)C4=CC=CC=C4)P(=O)([O-])[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrN3O3P/c24-19-13-11-18(12-14-19)22-21(16-27(26-22)20-9-5-2-6-10-20)23(31(28,29)30)25-15-17-7-3-1-4-8-17/h1-14,16,23,25H,15H2,(H2,28,29,30)/p-1/t23-/m0/s1