4-(diethylamino)butyl-triphenyl-phosphanium phosphate

Systemtic Name: 4-(diethylamino)butyl-triphenyl-phosphanium phosphate Openeye Name: 4-(diethylamino)butyl-triphenyl-phosphonium phosphate CAS Name: 4-(diethylamino)butyl-triphenylphosphonium phosphate IUPAC Name: 4-(diethylamino)butyl-triphenylphosphanium phosphate Traditional Name: 4-(diethylamino)butyl-triphenyl-phosphonium phosphate Formula: C26H33NO4P2-2 MolecularWeight: 485.492042

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCN(CC)CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C26H33NP.H3O4P/c1-3-27(4-2)22-14-15-23-28(24-16-8-5-9-17-24,25-18-10-6-11-19-25)26-20-12-7-13-21-26;1-5(2,3)4/h5-13,16-21H,3-4,14-15,22-23H2,1-2H3;(H3,1,2,3,4)/q+1;/p-3