[(R)-diethoxyphosphoryl-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]-(phenylmethyl)azanium

Systemtic Name: [(R)-diethoxyphosphoryl-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(R)-diethoxyphosphoryl-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]ammonium CAS Name: [(R)-diethoxyphosphoryl-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(R)-diethoxyphosphoryl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]azanium Traditional Name: benzyl-[(R)-diethoxyphosphoryl-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]ammonium Formula: C25H29N3O3PS+ MolecularWeight: 482.554821

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3)[NH2+]CC4=CC=CC=C4)OCC

Isomeric SMILES

CCOP(=O)([C@H](C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3)[NH2+]CC4=CC=CC=C4)OCC

InChI

InChI=1S/C25H28N3O3PS/c1-3-30-32(29,31-4-2)25(26-18-20-12-7-5-8-13-20)22-19-28(21-14-9-6-10-15-21)27-24(22)23-16-11-17-33-23/h5-17,19,25-26H,3-4,18H2,1-2H3/p+1/t25-/m1/s1