methyl 3-oxidanylidene-5-(2-oxidanylidene-3,3a,4,5,6,7-hexahydroindol-1-ium-1-yl)pentanoate tetrafluoroborate

Systemtic Name: methyl 3-oxidanylidene-5-(2-oxidanylidene-3,3a,4,5,6,7-hexahydroindol-1-ium-1-yl)pentanoate tetrafluoroborate Openeye Name: methyl 3-oxo-5-(2-oxo-3,3a,4,5,6,7-hexahydroindol-1-ium-1-yl)pentanoate tetrafluoroborate CAS Name: 3-oxo-5-(2-oxo-3,3a,4,5,6,7-hexahydroindol-1-ium-1-yl)pentanoic acid methyl ester tetrafluoroborate IUPAC Name: methyl 3-oxo-5-(2-oxo-3,3a,4,5,6,7-hexahydroindol-1-ium-1-yl)pentanoate tetrafluoroborate Traditional Name: 3-keto-5-(2-keto-3,3a,4,5,6,7-hexahydroindol-1-ium-1-yl)valeric acid methyl ester tetrafluoroborate Formula: C14H20BF4NO4 MolecularWeight: 353.117513

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.COC(=O)CC(=O)CC[N+]1=C2CCCCC2CC1=O

Isomeric SMILES

[B-](F)(F)(F)F.COC(=O)CC(=O)CC[N+]1=C2CCCCC2CC1=O

InChI

InChI=1S/C14H20NO4.BF4/c1-19-14(18)9-11(16)6-7-15-12-5-3-2-4-10(12)8-13(15)17;2-1(3,4)5/h10H,2-9H2,1H3;/q+1;-1