(4-piperidin-1-ium-1-ylcyclohexyl) 3-methylbutanoate chloride

Systemtic Name: (4-piperidin-1-ium-1-ylcyclohexyl) 3-methylbutanoate chloride Openeye Name: (4-piperidin-1-ium-1-ylcyclohexyl) 3-methylbutanoate chloride CAS Name: 3-methylbutanoic acid [4-(1-piperidin-1-iumyl)cyclohexyl] ester chloride IUPAC Name: (4-piperidin-1-ium-1-ylcyclohexyl) 3-methylbutanoate chloride Traditional Name: 3-methylbutyric acid (4-piperidin-1-ium-1-ylcyclohexyl) ester chloride Formula: C16H30ClNO2 MolecularWeight: 303.8679

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC1CCC(CC1)[NH+]2CCCCC2.[Cl-]

Isomeric SMILES

CC(C)CC(=O)OC1CCC(CC1)[NH+]2CCCCC2.[Cl-]

InChI

InChI=1S/C16H29NO2.ClH/c1-13(2)12-16(18)19-15-8-6-14(7-9-15)17-10-4-3-5-11-17;/h13-15H,3-12H2,1-2H3;1H