3-(dimethylamino)propyl-triphenyl-phosphanium; 2-hydroxyethyl(triphenyl)phosphanium; dibromide

Systemtic Name: 3-(dimethylamino)propyl-triphenyl-phosphanium; 2-hydroxyethyl(triphenyl)phosphanium; dibromide Openeye Name: 3-(dimethylamino)propyl-triphenyl-phosphonium; 2-hydroxyethyl(triphenyl)phosphonium; dibromide CAS Name: 3-(dimethylamino)propyl-triphenylphosphonium; 2-hydroxyethyl(triphenyl)phosphonium; dibromide IUPAC Name: 3-(dimethylamino)propyl-triphenylphosphanium; 2-hydroxyethyl(triphenyl)phosphanium; dibromide Traditional Name: 3-(dimethylamino)propyl-triphenyl-phosphonium; 2-hydroxyethyl(triphenyl)phosphonium; dibromide Formula: C43H47Br2NOP2 MolecularWeight: 815.594902

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[P+](CCO)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-].[Br-]

Isomeric SMILES

CN(C)CCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[P+](CCO)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-].[Br-]

InChI

InChI=1S/C23H27NP.C20H20OP.2BrH/c1-24(2)19-12-20-25(21-13-6-3-7-14-21,22-15-8-4-9-16-22)23-17-10-5-11-18-23;21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;;/h3-11,13-18H,12,19-20H2,1-2H3;1-15,21H,16-17H2;2*1H/q2*+1;;/p-2