methyl 6-(6,7-dihydro-5H-pyrrolo[2,1-b][1,3]oxazol-4-ium-2-yl)hex-2-ynoate

Systemtic Name: methyl 6-(6,7-dihydro-5H-pyrrolo[2,1-b][1,3]oxazol-4-ium-2-yl)hex-2-ynoate Openeye Name: methyl 6-(6,7-dihydro-5H-pyrrolo[2,1-b]oxazol-4-ium-2-yl)hex-2-ynoate CAS Name: 6-(6,7-dihydro-5H-pyrrolo[2,1-b]oxazol-4-ium-2-yl)-2-hexynoic acid methyl ester IUPAC Name: methyl 6-(6,7-dihydro-5H-pyrrolo[2,1-b][1,3]oxazol-4-ium-2-yl)hex-2-ynoate Traditional Name: 6-(6,7-dihydro-5H-pyrrolo[2,1-b]oxazol-4-ium-2-yl)hex-2-ynoic acid methyl ester Formula: C13H16NO3+ MolecularWeight: 234.27104

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C#CCCCC1=C[N+]2=C(O1)CCC2

Isomeric SMILES

COC(=O)C#CCCCC1=C[N+]2=C(O1)CCC2

InChI

InChI=1S/C13H16NO3/c1-16-13(15)8-4-2-3-6-11-10-14-9-5-7-12(14)17-11/h10H,2-3,5-7,9H2,1H3/q+1