(2S,3R,4R)-4-diethoxyphosphoryl-5-methyl-1-oxidanidyl-3-phenyl-2-pyrrolidin-1-yl-3,4-dihydro-2H-pyrrol-1-ium

Systemtic Name: (2S,3R,4R)-4-diethoxyphosphoryl-5-methyl-1-oxidanidyl-3-phenyl-2-pyrrolidin-1-yl-3,4-dihydro-2H-pyrrol-1-ium Openeye Name: (2S,3R,4R)-4-diethoxyphosphoryl-5-methyl-1-oxido-3-phenyl-2-pyrrolidin-1-yl-3,4-dihydro-2H-pyrrol-1-ium CAS Name: (2S,3R,4R)-4-diethoxyphosphoryl-5-methyl-1-oxido-3-phenyl-2-(1-pyrrolidinyl)-3,4-dihydro-2H-pyrrol-1-ium IUPAC Name: (2S,3R,4R)-4-diethoxyphosphoryl-5-methyl-1-oxido-3-phenyl-2-pyrrolidin-1-yl-3,4-dihydro-2H-pyrrol-1-ium Traditional Name: (3R,4R,5S)-3-diethoxyphosphoryl-2-methyl-1-oxido-4-phenyl-5-pyrrolidino-1-pyrrolin-1-ium Formula: C19H29N2O4P MolecularWeight: 380.418321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1C(C([N+](=C1C)[O-])N2CCCC2)C3=CC=CC=C3)OCC

Isomeric SMILES

CCOP(=O)([C@@H]1[C@@H]([C@H]([N+](=C1C)[O-])N2CCCC2)C3=CC=CC=C3)OCC

InChI

InChI=1S/C19H29N2O4P/c1-4-24-26(23,25-5-2)18-15(3)21(22)19(20-13-9-10-14-20)17(18)16-11-7-6-8-12-16/h6-8,11-12,17-19H,4-5,9-10,13-14H2,1-3H3/t17-,18-,19-/m0/s1