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

Systemtic Name: 2-hydroxyethyl-dimethyl-(3-methylbutyl)azanium benzoate hydrochloride Openeye Name: 2-hydroxyethyl-isopentyl-dimethyl-ammonium benzoate hydrochloride CAS Name: 2-hydroxyethyl-dimethyl-(3-methylbutyl)ammonium benzoate hydrochloride IUPAC Name: 2-hydroxyethyl-dimethyl-(3-methylbutyl)azanium benzoate hydrochloride Traditional Name: 2-hydroxyethyl-isoamyl-dimethyl-ammonium benzoate hydrochloride Formula: C16H28ClNO3 MolecularWeight: 317.85142

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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-1