[4-(diethylcarbamoylamino)-3,5-dimethyl-phenyl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [4-(diethylcarbamoylamino)-3,5-dimethyl-phenyl]methyl-triphenyl-phosphanium bromide Openeye Name: [4-(diethylcarbamoylamino)-3,5-dimethyl-phenyl]methyl-triphenyl-phosphonium bromide CAS Name: [4-[[diethylamino(oxo)methyl]amino]-3,5-dimethylphenyl]methyl-triphenylphosphonium bromide IUPAC Name: [4-(diethylcarbamoylamino)-3,5-dimethylphenyl]methyl-triphenylphosphanium bromide Traditional Name: [4-(diethylcarbamoylamino)-3,5-dimethyl-benzyl]-triphenyl-phosphonium bromide Formula: C32H36BrN2OP MolecularWeight: 575.518801

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)NC1=C(C=C(C=C1C)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]

Isomeric SMILES

CCN(CC)C(=O)NC1=C(C=C(C=C1C)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]

InChI

InChI=1S/C32H35N2OP.BrH/c1-5-34(6-2)32(35)33-31-25(3)22-27(23-26(31)4)24-36(28-16-10-7-11-17-28,29-18-12-8-13-19-29)30-20-14-9-15-21-30;/h7-23H,5-6,24H2,1-4H3;1H