3-phenyl-2-(phenylmethyl)propanoate; triethyl(2-hydroxyethyl)azanium; hydrobromide

Systemtic Name: 3-phenyl-2-(phenylmethyl)propanoate; triethyl(2-hydroxyethyl)azanium; hydrobromide Openeye Name: 2-benzyl-3-phenyl-propanoate; triethyl(2-hydroxyethyl)ammonium; hydrobromide CAS Name: 3-phenyl-2-(phenylmethyl)propanoate; triethyl(2-hydroxyethyl)ammonium; hydrobromide IUPAC Name: 2-benzyl-3-phenylpropanoate; triethyl(2-hydroxyethyl)azanium; hydrobromide Traditional Name: 2-benzyl-3-phenyl-propionate; triethyl(2-hydroxyethyl)ammonium; hydrobromide Formula: C24H36BrNO3 MolecularWeight: 466.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CCO.C1=CC=C(C=C1)CC(CC2=CC=CC=C2)C(=O)[O-].Br

Isomeric SMILES

CC[N+](CC)(CC)CCO.C1=CC=C(C=C1)CC(CC2=CC=CC=C2)C(=O)[O-].Br

InChI

InChI=1S/C16H16O2.C8H20NO.BrH/c17-16(18)15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;1-4-9(5-2,6-3)7-8-10;/h1-10,15H,11-12H2,(H,17,18);10H,4-8H2,1-3H3;1H/q;+1;/p-1