methyl (Z)-2-acetamido-3-pyridin-1-ium-3-yl-prop-2-enoate tetrafluoroborate

Systemtic Name: methyl (Z)-2-acetamido-3-pyridin-1-ium-3-yl-prop-2-enoate tetrafluoroborate Openeye Name: methyl (Z)-2-acetamido-3-pyridin-1-ium-3-yl-prop-2-enoate tetrafluoroborate CAS Name: (Z)-2-acetamido-3-(3-pyridin-1-iumyl)-2-propenoic acid methyl ester tetrafluoroborate IUPAC Name: methyl (Z)-2-acetamido-3-pyridin-1-ium-3-ylprop-2-enoate tetrafluoroborate Traditional Name: (Z)-2-acetamido-3-pyridin-1-ium-3-yl-acrylic acid methyl ester tetrafluoroborate Formula: C11H13BF4N2O3 MolecularWeight: 308.037133

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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)N/C(=C\C1=C[NH+]=CC=C1)/C(=O)OC

InChI

InChI=1S/C11H12N2O3.BF4/c1-8(14)13-10(11(15)16-2)6-9-4-3-5-12-7-9;2-1(3,4)5/h3-7H,1-2H3,(H,13,14);/q;-1/p+1/b10-6-;