[1-[(1-methylpyridin-1-ium-2-yl)methyl]cyclohexyl] 2-methylpropanoate

Systemtic Name: [1-[(1-methylpyridin-1-ium-2-yl)methyl]cyclohexyl] 2-methylpropanoate Openeye Name: [1-[(1-methylpyridin-1-ium-2-yl)methyl]cyclohexyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [1-[(1-methyl-2-pyridin-1-iumyl)methyl]cyclohexyl] ester IUPAC Name: [1-[(1-methylpyridin-1-ium-2-yl)methyl]cyclohexyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [1-[(1-methylpyridin-1-ium-2-yl)methyl]cyclohexyl] ester Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1(CCCCC1)CC2=CC=CC=[N+]2C

Isomeric SMILES

CC(C)C(=O)OC1(CCCCC1)CC2=CC=CC=[N+]2C

InChI

InChI=1S/C17H26NO2/c1-14(2)16(19)20-17(10-6-4-7-11-17)13-15-9-5-8-12-18(15)3/h5,8-9,12,14H,4,6-7,10-11,13H2,1-3H3/q+1