2-[[(E)-2-benzamido-3-pyridin-1-ium-3-yl-prop-2-enoyl]amino]ethanoate

Systemtic Name: 2-[[(E)-2-benzamido-3-pyridin-1-ium-3-yl-prop-2-enoyl]amino]ethanoate Openeye Name: 2-[[(E)-2-benzamido-3-pyridin-1-ium-3-yl-prop-2-enoyl]amino]acetate CAS Name: 2-[[(E)-2-benzamido-1-oxo-3-(3-pyridin-1-iumyl)prop-2-enyl]amino]acetate IUPAC Name: 2-[[(E)-2-benzamido-3-pyridin-1-ium-3-ylprop-2-enoyl]amino]acetate Traditional Name: 2-[[(E)-2-benzamido-3-pyridin-1-ium-3-yl-acryloyl]amino]acetate Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=CC2=C[NH+]=CC=C2)C(=O)NCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C/C2=C[NH+]=CC=C2)/C(=O)NCC(=O)[O-]

InChI

InChI=1S/C17H15N3O4/c21-15(22)11-19-17(24)14(9-12-5-4-8-18-10-12)20-16(23)13-6-2-1-3-7-13/h1-10H,11H2,(H,19,24)(H,20,23)(H,21,22)/b14-9+