2-phenethyl-4-phenyl-butanoate; triethyl(2-hydroxyethyl)azanium; hydrobromide

Systemtic Name: 2-phenethyl-4-phenyl-butanoate; triethyl(2-hydroxyethyl)azanium; hydrobromide Openeye Name: 2-phenethyl-4-phenyl-butanoate; triethyl(2-hydroxyethyl)ammonium; hydrobromide CAS Name: 2-phenethyl-4-phenylbutanoate; triethyl(2-hydroxyethyl)ammonium; hydrobromide IUPAC Name: 2-phenethyl-4-phenylbutanoate; triethyl(2-hydroxyethyl)azanium; hydrobromide Traditional Name: 2-phenethyl-4-phenyl-butyrate; triethyl(2-hydroxyethyl)ammonium; hydrobromide Formula: C26H40BrNO3 MolecularWeight: 494.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CCO.C1=CC=C(C=C1)CCC(CCC2=CC=CC=C2)C(=O)[O-].Br

Isomeric SMILES

CC[N+](CC)(CC)CCO.C1=CC=C(C=C1)CCC(CCC2=CC=CC=C2)C(=O)[O-].Br

InChI

InChI=1S/C18H20O2.C8H20NO.BrH/c19-18(20)17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;1-4-9(5-2,6-3)7-8-10;/h1-10,17H,11-14H2,(H,19,20);10H,4-8H2,1-3H3;1H/q;+1;/p-1