methyl 5-(2-pyrrolo[1,2-a]pyrazin-2-ium-2-ylethanoyloxy)pent-2-ynoate iodide

Systemtic Name: methyl 5-(2-pyrrolo[1,2-a]pyrazin-2-ium-2-ylethanoyloxy)pent-2-ynoate iodide Openeye Name: methyl 5-(2-pyrrolo[1,2-a]pyrazin-2-ium-2-ylacetyl)oxypent-2-ynoate iodide CAS Name: 5-[1-oxo-2-(2-pyrrolo[1,2-a]pyrazin-2-iumyl)ethoxy]-2-pentynoic acid methyl ester iodide IUPAC Name: methyl 5-(2-pyrrolo[1,2-a]pyrazin-2-ium-2-ylacetyl)oxypent-2-ynoate iodide Traditional Name: 5-(2-pyrrolo[1,2-a]pyrazin-2-ium-2-ylacetyl)oxypent-2-ynoic acid methyl ester iodide Formula: C15H15IN2O4 MolecularWeight: 414.19507

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N2O4.HI/c1-20-14(18)6-2-3-10-21-15(19)12-16-8-9-17-7-4-5-13(17)11-16;/h4-5,7-9,11H,3,10,12H2,1H3;1H/q+1;/p-1