diethyl-methyl-(6-oxidanylhexyl)azanium; 4-methoxybenzoate; bromide

Systemtic Name: diethyl-methyl-(6-oxidanylhexyl)azanium; 4-methoxybenzoate; bromide Openeye Name: diethyl-(6-hydroxyhexyl)-methyl-ammonium; 4-methoxybenzoate; bromide CAS Name: diethyl-(6-hydroxyhexyl)-methylammonium; 4-methoxybenzoate; bromide IUPAC Name: diethyl-(6-hydroxyhexyl)-methylazanium; 4-methoxybenzoate; bromide Traditional Name: diethyl-(6-hydroxyhexyl)-methyl-ammonium; 4-methoxybenzoate; bromide Formula: C19H33BrNO4- MolecularWeight: 419.37362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H26NO.C8H8O3.BrH/c1-4-12(3,5-2)10-8-6-7-9-11-13;1-11-7-4-2-6(3-5-7)8(9)10;/h13H,4-11H2,1-3H3;2-5H,1H3,(H,9,10);1H/q+1;;/p-2