2-[[(2S,3R)-2-diethoxyphosphoryl-2-methyl-1-oxidanidyl-3,4-dihydropyrrol-1-ium-3-yl]methoxycarbonylamino]ethyl-triphenyl-phosphanium bromide

Systemtic Name: 2-[[(2S,3R)-2-diethoxyphosphoryl-2-methyl-1-oxidanidyl-3,4-dihydropyrrol-1-ium-3-yl]methoxycarbonylamino]ethyl-triphenyl-phosphanium bromide Openeye Name: 2-[[(2S,3R)-2-diethoxyphosphoryl-2-methyl-1-oxido-3,4-dihydropyrrol-1-ium-3-yl]methoxycarbonylamino]ethyl-triphenyl-phosphonium bromide CAS Name: 2-[[[(2S,3R)-2-diethoxyphosphoryl-2-methyl-1-oxido-3,4-dihydropyrrol-1-ium-3-yl]methoxy-oxomethyl]amino]ethyl-triphenylphosphonium bromide IUPAC Name: 2-[[(2S,3R)-2-diethoxyphosphoryl-2-methyl-1-oxido-3,4-dihydropyrrol-1-ium-3-yl]methoxycarbonylamino]ethyl-triphenylphosphanium bromide Traditional Name: 2-[[(2S,3R)-2-diethoxyphosphoryl-2-methyl-1-oxido-1-pyrrolin-1-ium-3-yl]methoxycarbonylamino]ethyl-triphenyl-phosphonium bromide Formula: C31H39BrN2O6P2 MolecularWeight: 677.502682

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1(C(CC=[N+]1[O-])COC(=O)NCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C)OCC.[Br-]

Isomeric SMILES

CCOP(=O)([C@]1([C@H](CC=[N+]1[O-])COC(=O)NCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C)OCC.[Br-]

InChI

InChI=1S/C31H38N2O6P2.BrH/c1-4-38-41(36,39-5-2)31(3)26(21-23-33(31)35)25-37-30(34)32-22-24-40(27-15-9-6-10-16-27,28-17-11-7-12-18-28)29-19-13-8-14-20-29;/h6-20,23,26H,4-5,21-22,24-25H2,1-3H3;1H/t26-,31+;/m1./s1