[1-methyl-7-(2-methylpropanoyloxy)-4-methylsulfanyl-quinazolin-1-ium-6-yl] 2-methylpropanoate tetrafluoroborate

Systemtic Name: [1-methyl-7-(2-methylpropanoyloxy)-4-methylsulfanyl-quinazolin-1-ium-6-yl] 2-methylpropanoate tetrafluoroborate Openeye Name: [1-methyl-7-(2-methylpropanoyloxy)-4-methylsulfanyl-quinazolin-1-ium-6-yl] 2-methylpropanoate tetrafluoroborate CAS Name: 2-methylpropanoic acid [1-methyl-7-(2-methyl-1-oxopropoxy)-4-(methylthio)-6-quinazolin-1-iumyl] ester tetrafluoroborate IUPAC Name: [1-methyl-7-(2-methylpropanoyloxy)-4-methylsulfanylquinazolin-1-ium-6-yl] 2-methylpropanoate tetrafluoroborate Traditional Name: 2-methylpropionic acid [7-isobutyryloxy-1-methyl-4-(methylthio)quinazolin-1-ium-6-yl] ester tetrafluoroborate Formula: C18H23BF4N2O4S MolecularWeight: 450.255833

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(C)C(=O)OC1=C(C=C2C(=C1)C(=NC=[N+]2C)SC)OC(=O)C(C)C

Isomeric SMILES

[B-](F)(F)(F)F.CC(C)C(=O)OC1=C(C=C2C(=C1)C(=NC=[N+]2C)SC)OC(=O)C(C)C

InChI

InChI=1S/C18H23N2O4S.BF4/c1-10(2)17(21)23-14-7-12-13(20(5)9-19-16(12)25-6)8-15(14)24-18(22)11(3)4;2-1(3,4)5/h7-11H,1-6H3;/q+1;-1