(E)-4-[furan-2-ylmethyl(pyridin-1-ium-2-ylmethyl)amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-[furan-2-ylmethyl(pyridin-1-ium-2-ylmethyl)amino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[2-furylmethyl(pyridin-1-ium-2-ylmethyl)amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[2-furanylmethyl(2-pyridin-1-iumylmethyl)amino]-4-oxo-2-butenoate IUPAC Name: (E)-4-[furan-2-ylmethyl(pyridin-1-ium-2-ylmethyl)amino]-4-oxobut-2-enoate Traditional Name: (E)-4-[2-furfuryl(pyridin-1-ium-2-ylmethyl)amino]-4-keto-but-2-enoate Formula: C15H14N2O4 MolecularWeight: 286.28266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)CN(CC2=CC=CO2)C(=O)C=CC(=O)[O-]

Isomeric SMILES

C1=CC=[NH+]C(=C1)CN(CC2=CC=CO2)C(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C15H14N2O4/c18-14(6-7-15(19)20)17(11-13-5-3-9-21-13)10-12-4-1-2-8-16-12/h1-9H,10-11H2,(H,19,20)/b7-6+