methyl 4-(2-pyrrolo[1,2-a]pyrazin-2-ium-2-ylethanoyloxy)but-2-ynoate iodide

Systemtic Name: methyl 4-(2-pyrrolo[1,2-a]pyrazin-2-ium-2-ylethanoyloxy)but-2-ynoate iodide Openeye Name: methyl 4-(2-pyrrolo[1,2-a]pyrazin-2-ium-2-ylacetyl)oxybut-2-ynoate iodide CAS Name: 4-[1-oxo-2-(2-pyrrolo[1,2-a]pyrazin-2-iumyl)ethoxy]-2-butynoic acid methyl ester iodide IUPAC Name: methyl 4-(2-pyrrolo[1,2-a]pyrazin-2-ium-2-ylacetyl)oxybut-2-ynoate iodide Traditional Name: 4-(2-pyrrolo[1,2-a]pyrazin-2-ium-2-ylacetyl)oxybut-2-ynoic acid methyl ester iodide Formula: C14H13IN2O4 MolecularWeight: 400.16849

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C#CCOC(=O)C[N+]1=CC2=CC=CN2C=C1.[I-]

Isomeric SMILES

COC(=O)C#CCOC(=O)C[N+]1=CC2=CC=CN2C=C1.[I-]

InChI

InChI=1S/C14H13N2O4.HI/c1-19-13(17)5-3-9-20-14(18)11-15-7-8-16-6-2-4-12(16)10-15;/h2,4,6-8,10H,9,11H2,1H3;1H/q+1;/p-1