triethyl-[(Z)-4-(1H-isothiochromen-1-yl)-2,3-dimethyl-but-2-enyl]azanium tetrafluoroborate

Systemtic Name: triethyl-[(Z)-4-(1H-isothiochromen-1-yl)-2,3-dimethyl-but-2-enyl]azanium tetrafluoroborate Openeye Name: triethyl-[(Z)-4-(1H-isothiochromen-1-yl)-2,3-dimethyl-but-2-enyl]ammonium tetrafluoroborate CAS Name: [(Z)-4-(1H-2-benzothiopyran-1-yl)-2,3-dimethylbut-2-enyl]-triethylammonium tetrafluoroborate IUPAC Name: triethyl-[(Z)-4-(1H-isothiochromen-1-yl)-2,3-dimethylbut-2-enyl]azanium tetrafluoroborate Traditional Name: triethyl-[(Z)-4-(1H-isothiochromen-1-yl)-2,3-dimethyl-but-2-enyl]ammonium tetrafluoroborate Formula: C21H32BF4NS MolecularWeight: 417.355093

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC[N+](CC)(CC)CC(=C(C)CC1C2=CC=CC=C2C=CS1)C

Isomeric SMILES

[B-](F)(F)(F)F.CC[N+](CC)(CC)C/C(=C(/C)\CC1C2=CC=CC=C2C=CS1)/C

InChI

InChI=1S/C21H32NS.BF4/c1-6-22(7-2,8-3)16-18(5)17(4)15-21-20-12-10-9-11-19(20)13-14-23-21;2-1(3,4)5/h9-14,21H,6-8,15-16H2,1-5H3;/q+1;-1/b18-17-;