methyl 2-acetamido-3-pyridin-1-ium-3-yl-propanoate tetrafluoroborate

Systemtic Name: methyl 2-acetamido-3-pyridin-1-ium-3-yl-propanoate tetrafluoroborate Openeye Name: methyl 2-acetamido-3-pyridin-1-ium-3-yl-propanoate tetrafluoroborate CAS Name: 2-acetamido-3-(3-pyridin-1-iumyl)propanoic acid methyl ester tetrafluoroborate IUPAC Name: methyl 2-acetamido-3-pyridin-1-ium-3-ylpropanoate tetrafluoroborate Traditional Name: 2-acetamido-3-pyridin-1-ium-3-yl-propionic acid methyl ester tetrafluoroborate Formula: C11H15BF4N2O3 MolecularWeight: 310.053013

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(=O)NC(CC1=C[NH+]=CC=C1)C(=O)OC

Isomeric SMILES

[B-](F)(F)(F)F.CC(=O)NC(CC1=C[NH+]=CC=C1)C(=O)OC

InChI

InChI=1S/C11H14N2O3.BF4/c1-8(14)13-10(11(15)16-2)6-9-4-3-5-12-7-9;2-1(3,4)5/h3-5,7,10H,6H2,1-2H3,(H,13,14);/q;-1/p+1