2-hydroxyethyl-dimethyl-(3-methylbutyl)azanium benzoate chloride

Systemtic Name: 2-hydroxyethyl-dimethyl-(3-methylbutyl)azanium benzoate chloride Openeye Name: 2-hydroxyethyl-isopentyl-dimethyl-ammonium benzoate chloride CAS Name: 2-hydroxyethyl-dimethyl-(3-methylbutyl)ammonium benzoate chloride IUPAC Name: 2-hydroxyethyl-dimethyl-(3-methylbutyl)azanium benzoate chloride Traditional Name: 2-hydroxyethyl-isoamyl-dimethyl-ammonium benzoate chloride Formula: C16H27ClNO3- MolecularWeight: 316.84348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[N+](C)(C)CCO.C1=CC=C(C=C1)C(=O)[O-].[Cl-]

Isomeric SMILES

CC(C)CC[N+](C)(C)CCO.C1=CC=C(C=C1)C(=O)[O-].[Cl-]

InChI

InChI=1S/C9H22NO.C7H6O2.ClH/c1-9(2)5-6-10(3,4)7-8-11;8-7(9)6-4-2-1-3-5-6;/h9,11H,5-8H2,1-4H3;1-5H,(H,8,9);1H/q+1;;/p-2