trimethyl-[2-[(4-nitrophenoxy)-propan-2-yloxy-phosphoryl]oxyethyl]azanium bromide

Systemtic Name: trimethyl-[2-[(4-nitrophenoxy)-propan-2-yloxy-phosphoryl]oxyethyl]azanium bromide Openeye Name: 2-[isopropoxy-(4-nitrophenoxy)phosphoryl]oxyethyl-trimethyl-ammonium bromide CAS Name: trimethyl-[2-[(4-nitrophenoxy)-propan-2-yloxyphosphoryl]oxyethyl]ammonium bromide IUPAC Name: trimethyl-[2-[(4-nitrophenoxy)-propan-2-yloxyphosphoryl]oxyethyl]azanium bromide Traditional Name: 2-[isopropoxy-(4-nitrophenoxy)phosphoryl]oxyethyl-trimethyl-ammonium bromide Formula: C14H24BrN2O6P MolecularWeight: 427.227921

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(OCC[N+](C)(C)C)OC1=CC=C(C=C1)[N+](=O)[O-].[Br-]

Isomeric SMILES

CC(C)OP(=O)(OCC[N+](C)(C)C)OC1=CC=C(C=C1)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C14H24N2O6P.BrH/c1-12(2)21-23(19,20-11-10-16(3,4)5)22-14-8-6-13(7-9-14)15(17)18;/h6-9,12H,10-11H2,1-5H3;1H/q+1;/p-1