tributyl-[2-[(3-methoxy-2-methyl-3-oxidanylidene-propyl)-(phenylmethyl)amino]ethyl]phosphanium bromide

Systemtic Name: tributyl-[2-[(3-methoxy-2-methyl-3-oxidanylidene-propyl)-(phenylmethyl)amino]ethyl]phosphanium bromide Openeye Name: 2-[benzyl-(3-methoxy-2-methyl-3-oxo-propyl)amino]ethyl-tributyl-phosphonium bromide CAS Name: tributyl-[2-[(3-methoxy-2-methyl-3-oxopropyl)-(phenylmethyl)amino]ethyl]phosphonium bromide IUPAC Name: 2-[benzyl-(3-methoxy-2-methyl-3-oxopropyl)amino]ethyl-tributylphosphanium bromide Traditional Name: 2-[benzyl-(3-keto-3-methoxy-2-methyl-propyl)amino]ethyl-tributyl-phosphonium bromide Formula: C26H47BrNO2P MolecularWeight: 516.534641

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[P+](CCCC)(CCCC)CCN(CC1=CC=CC=C1)CC(C)C(=O)OC.[Br-]

Isomeric SMILES

CCCC[P+](CCCC)(CCCC)CCN(CC1=CC=CC=C1)CC(C)C(=O)OC.[Br-]

InChI

InChI=1S/C26H47NO2P.BrH/c1-6-9-18-30(19-10-7-2,20-11-8-3)21-17-27(22-24(4)26(28)29-5)23-25-15-13-12-14-16-25;/h12-16,24H,6-11,17-23H2,1-5H3;1H/q+1;/p-1