2-methylbutan-2-yl N-pyridin-1-ium-4-ylcarbamate ethanoate

Systemtic Name: 2-methylbutan-2-yl N-pyridin-1-ium-4-ylcarbamate ethanoate Openeye Name: 1,1-dimethylpropyl N-pyridin-1-ium-4-ylcarbamate acetate CAS Name: N-(4-pyridin-1-iumyl)carbamic acid 2-methylbutan-2-yl ester acetate IUPAC Name: 2-methylbutan-2-yl N-pyridin-1-ium-4-ylcarbamate acetate Traditional Name: N-pyridin-1-ium-4-ylcarbamic acid tert-amyl ester acetate Formula: C13H20N2O4 MolecularWeight: 268.3089

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)OC(=O)NC1=CC=[NH+]C=C1.CC(=O)[O-]

Isomeric SMILES

CCC(C)(C)OC(=O)NC1=CC=[NH+]C=C1.CC(=O)[O-]

InChI

InChI=1S/C11H16N2O2.C2H4O2/c1-4-11(2,3)15-10(14)13-9-5-7-12-8-6-9;1-2(3)4/h5-8H,4H2,1-3H3,(H,12,13,14);1H3,(H,3,4)