diethyl-methyl-(4-oxidanylbutyl)azanium; 4-methoxybenzoate; hydrobromide

Systemtic Name: diethyl-methyl-(4-oxidanylbutyl)azanium; 4-methoxybenzoate; hydrobromide Openeye Name: diethyl-(4-hydroxybutyl)-methyl-ammonium; 4-methoxybenzoate; hydrobromide CAS Name: diethyl-(4-hydroxybutyl)-methylammonium; 4-methoxybenzoate; hydrobromide IUPAC Name: diethyl-(4-hydroxybutyl)-methylazanium; 4-methoxybenzoate; hydrobromide Traditional Name: diethyl-(4-hydroxybutyl)-methyl-ammonium; 4-methoxybenzoate; hydrobromide Formula: C17H30BrNO4 MolecularWeight: 392.3284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCCCO.COC1=CC=C(C=C1)C(=O)[O-].Br

Isomeric SMILES

CC[N+](C)(CC)CCCCO.COC1=CC=C(C=C1)C(=O)[O-].Br

InChI

InChI=1S/C9H22NO.C8H8O3.BrH/c1-4-10(3,5-2)8-6-7-9-11;1-11-7-4-2-6(3-5-7)8(9)10;/h11H,4-9H2,1-3H3;2-5H,1H3,(H,9,10);1H/q+1;;/p-1