ethyl (E)-3-(3,6-diethyl-4-oxidanidyl-pyrazin-4-ium-2-yl)prop-2-enoate

Systemtic Name: ethyl (E)-3-(3,6-diethyl-4-oxidanidyl-pyrazin-4-ium-2-yl)prop-2-enoate Openeye Name: ethyl (E)-3-(3,6-diethyl-4-oxido-pyrazin-4-ium-2-yl)prop-2-enoate CAS Name: (E)-3-(3,6-diethyl-4-oxido-2-pyrazin-4-iumyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(3,6-diethyl-4-oxidopyrazin-4-ium-2-yl)prop-2-enoate Traditional Name: (E)-3-(3,6-diethyl-4-oxido-pyrazin-4-ium-2-yl)acrylic acid ethyl ester Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=C(C(=N1)C=CC(=O)OCC)CC)[O-]

Isomeric SMILES

CCC1=C[N+](=C(C(=N1)/C=C/C(=O)OCC)CC)[O-]

InChI

InChI=1S/C13H18N2O3/c1-4-10-9-15(17)12(5-2)11(14-10)7-8-13(16)18-6-3/h7-9H,4-6H2,1-3H3/b8-7+