di(propan-2-yloxy)phosphorylmethyl-diethyl-(3-phenylprop-2-ynyl)azanium bromide

Systemtic Name: di(propan-2-yloxy)phosphorylmethyl-diethyl-(3-phenylprop-2-ynyl)azanium bromide Openeye Name: diisopropoxyphosphorylmethyl-diethyl-(3-phenylprop-2-ynyl)ammonium bromide CAS Name: di(propan-2-yloxy)phosphorylmethyl-diethyl-(3-phenylprop-2-ynyl)ammonium bromide IUPAC Name: di(propan-2-yloxy)phosphorylmethyl-diethyl-(3-phenylprop-2-ynyl)azanium bromide Traditional Name: diisopropoxyphosphorylmethyl-diethyl-(3-phenylprop-2-ynyl)ammonium bromide Formula: C20H33BrNO3P MolecularWeight: 446.358681

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC#CC1=CC=CC=C1)CP(=O)(OC(C)C)OC(C)C.[Br-]

Isomeric SMILES

CC[N+](CC)(CC#CC1=CC=CC=C1)CP(=O)(OC(C)C)OC(C)C.[Br-]

InChI

InChI=1S/C20H33NO3P.BrH/c1-7-21(8-2,16-12-15-20-13-10-9-11-14-20)17-25(22,23-18(3)4)24-19(5)6;/h9-11,13-14,18-19H,7-8,16-17H2,1-6H3;1H/q+1;/p-1