diethyl-methyl-(4-oxidanylbutyl)azanium; 3-methoxybenzoate; bromide

Systemtic Name: diethyl-methyl-(4-oxidanylbutyl)azanium; 3-methoxybenzoate; bromide Openeye Name: diethyl-(4-hydroxybutyl)-methyl-ammonium; 3-methoxybenzoate; bromide CAS Name: diethyl-(4-hydroxybutyl)-methylammonium; 3-methoxybenzoate; bromide IUPAC Name: diethyl-(4-hydroxybutyl)-methylazanium; 3-methoxybenzoate; bromide Traditional Name: diethyl-(4-hydroxybutyl)-methyl-ammonium; 3-methoxybenzoate; bromide Formula: C17H29BrNO4- MolecularWeight: 391.32046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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