(2-ethoxycarbonyl-4-morpholin-4-yl-butyl)-triphenyl-phosphanium bromide

Systemtic Name: (2-ethoxycarbonyl-4-morpholin-4-yl-butyl)-triphenyl-phosphanium bromide Openeye Name: (2-ethoxycarbonyl-4-morpholino-butyl)-triphenyl-phosphonium bromide CAS Name: [2-ethoxycarbonyl-4-(4-morpholinyl)butyl]-triphenylphosphonium bromide IUPAC Name: (2-ethoxycarbonyl-4-morpholin-4-ylbutyl)-triphenylphosphanium bromide Traditional Name: (2-carbethoxy-4-morpholino-butyl)-triphenyl-phosphonium bromide Formula: C29H35BrNO3P MolecularWeight: 556.470861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCN1CCOCC1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCOC(=O)C(CCN1CCOCC1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C29H35NO3P.BrH/c1-2-33-29(31)25(18-19-30-20-22-32-23-21-30)24-34(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28;/h3-17,25H,2,18-24H2,1H3;1H/q+1;/p-1