[1-[3-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]prop-1-ynyl]cyclohexyl] ethanoate

Systemtic Name: [1-[3-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]prop-1-ynyl]cyclohexyl] ethanoate Openeye Name: [1-[3-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]prop-1-ynyl]cyclohexyl] acetate CAS Name: acetic acid [1-[3-[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]prop-1-ynyl]cyclohexyl] ester IUPAC Name: [1-[3-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]prop-1-ynyl]cyclohexyl] acetate Traditional Name: acetic acid [1-[3-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]prop-1-ynyl]cyclohexyl] ester Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(CCCCC1)C#CC[NH+]2CCCCC2C3=CN=CC=C3

Isomeric SMILES

CC(=O)OC1(CCCCC1)C#CC[NH+]2CCCC[C@H]2C3=CN=CC=C3

InChI

InChI=1S/C21H28N2O2/c1-18(24)25-21(11-4-2-5-12-21)13-8-16-23-15-6-3-10-20(23)19-9-7-14-22-17-19/h7,9,14,17,20H,2-6,10-12,15-16H2,1H3/p+1/t20-/m0/s1