[1-(3-piperidin-1-ium-1-ylprop-1-ynyl)cyclohexyl] benzoate chloride

Systemtic Name: [1-(3-piperidin-1-ium-1-ylprop-1-ynyl)cyclohexyl] benzoate chloride Openeye Name: [1-(3-piperidin-1-ium-1-ylprop-1-ynyl)cyclohexyl] benzoate chloride CAS Name: benzoic acid [1-[3-(1-piperidin-1-iumyl)prop-1-ynyl]cyclohexyl] ester chloride IUPAC Name: [1-(3-piperidin-1-ium-1-ylprop-1-ynyl)cyclohexyl] benzoate chloride Traditional Name: benzoic acid [1-(3-piperidin-1-ium-1-ylprop-1-ynyl)cyclohexyl] ester chloride Formula: C21H28ClNO2 MolecularWeight: 361.90552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC[NH+]2CCCCC2)OC(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1CCC(CC1)(C#CC[NH+]2CCCCC2)OC(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H27NO2.ClH/c23-20(19-11-4-1-5-12-19)24-21(13-6-2-7-14-21)15-10-18-22-16-8-3-9-17-22;/h1,4-5,11-12H,2-3,6-9,13-14,16-18H2;1H