pyridin-1-ium-2-ylmethyl 2-ethyl-2-methyl-hexanoate chloride

Systemtic Name: pyridin-1-ium-2-ylmethyl 2-ethyl-2-methyl-hexanoate chloride Openeye Name: pyridin-1-ium-2-ylmethyl 2-ethyl-2-methyl-hexanoate chloride CAS Name: 2-ethyl-2-methylhexanoic acid 2-pyridin-1-iumylmethyl ester chloride IUPAC Name: pyridin-1-ium-2-ylmethyl 2-ethyl-2-methylhexanoate chloride Traditional Name: 2-ethyl-2-methyl-hexanoic acid pyridin-1-ium-2-ylmethyl ester chloride Formula: C15H24ClNO2 MolecularWeight: 285.80956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(CC)C(=O)OCC1=CC=CC=[NH+]1.[Cl-]

Isomeric SMILES

CCCCC(C)(CC)C(=O)OCC1=CC=CC=[NH+]1.[Cl-]

InChI

InChI=1S/C15H23NO2.ClH/c1-4-6-10-15(3,5-2)14(17)18-12-13-9-7-8-11-16-13;/h7-9,11H,4-6,10,12H2,1-3H3;1H