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

Systemtic Name: [1-(3-piperidin-1-ium-1-ylprop-1-ynyl)cyclohexyl] benzoate Openeye Name: [1-(3-piperidin-1-ium-1-ylprop-1-ynyl)cyclohexyl] benzoate CAS Name: benzoic acid [1-[3-(1-piperidin-1-iumyl)prop-1-ynyl]cyclohexyl] ester IUPAC Name: [1-(3-piperidin-1-ium-1-ylprop-1-ynyl)cyclohexyl] benzoate Traditional Name: benzoic acid [1-(3-piperidin-1-ium-1-ylprop-1-ynyl)cyclohexyl] ester Formula: C21H28NO2+ MolecularWeight: 326.45252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO2/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/p+1