ethyl 4-(2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)butanoate tetrafluoroborate

Systemtic Name: ethyl 4-(2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)butanoate tetrafluoroborate Openeye Name: ethyl 4-(2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)butanoate tetrafluoroborate CAS Name: 4-(2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)butanoic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 4-(2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)butanoate tetrafluoroborate Traditional Name: 4-(2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)butyric acid ethyl ester tetrafluoroborate Formula: C18H26BF4NO2 MolecularWeight: 375.209153

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCOC(=O)CCCC1=[N+](C(CC2=CC=CC=C21)(C)C)C

Isomeric SMILES

[B-](F)(F)(F)F.CCOC(=O)CCCC1=[N+](C(CC2=CC=CC=C21)(C)C)C

InChI

InChI=1S/C18H26NO2.BF4/c1-5-21-17(20)12-8-11-16-15-10-7-6-9-14(15)13-18(2,3)19(16)4;2-1(3,4)5/h6-7,9-10H,5,8,11-13H2,1-4H3;/q+1;-1