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

Systemtic Name: methyl (Z)-2-acetamido-3-pyridin-1-ium-3-yl-prop-2-enoate Openeye Name: methyl (Z)-2-acetamido-3-pyridin-1-ium-3-yl-prop-2-enoate CAS Name: (Z)-2-acetamido-3-(3-pyridin-1-iumyl)-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-2-acetamido-3-pyridin-1-ium-3-ylprop-2-enoate Traditional Name: (Z)-2-acetamido-3-pyridin-1-ium-3-yl-acrylic acid methyl ester Formula: C11H13N2O3+ MolecularWeight: 221.23252

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=C[NH+]=CC=C1)C(=O)OC

Isomeric SMILES

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

InChI

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