2-hydroxyethyl(trimethyl)azanium; (4-nitrophenyl) propan-2-yl phosphate; hydrobromide

Systemtic Name: 2-hydroxyethyl(trimethyl)azanium; (4-nitrophenyl) propan-2-yl phosphate; hydrobromide Openeye Name: 2-hydroxyethyl(trimethyl)ammonium; isopropyl (4-nitrophenyl) phosphate; hydrobromide CAS Name: 2-hydroxyethyl(trimethyl)ammonium; (4-nitrophenyl) propan-2-yl phosphate; hydrobromide IUPAC Name: 2-hydroxyethyl(trimethyl)azanium; (4-nitrophenyl) propan-2-yl phosphate; hydrobromide Traditional Name: 2-hydroxyethyl(trimethyl)ammonium; isopropyl (4-nitrophenyl) phosphate; hydrobromide Formula: C14H26BrN2O7P MolecularWeight: 445.243201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12NO6P.C5H14NO.BrH/c1-7(2)15-17(13,14)16-9-5-3-8(4-6-9)10(11)12;1-6(2,3)4-5-7;/h3-7H,1-2H3,(H,13,14);7H,4-5H2,1-3H3;1H/q;+1;/p-1