2-methyl-4-methylsulfanyl-1-phenethyl-3-phenylmethoxy-pyridin-1-ium tetrafluoroborate

Systemtic Name: 2-methyl-4-methylsulfanyl-1-phenethyl-3-phenylmethoxy-pyridin-1-ium tetrafluoroborate Openeye Name: 3-benzyloxy-2-methyl-4-methylsulfanyl-1-phenethyl-pyridin-1-ium tetrafluoroborate CAS Name: 2-methyl-4-(methylthio)-1-phenethyl-3-phenylmethoxypyridin-1-ium tetrafluoroborate IUPAC Name: 2-methyl-4-methylsulfanyl-1-phenethyl-3-phenylmethoxypyridin-1-ium tetrafluoroborate Traditional Name: 3-benzoxy-2-methyl-4-(methylthio)-1-phenethyl-pyridin-1-ium tetrafluoroborate Formula: C22H24BF4NOS MolecularWeight: 437.301673

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=[N+](C=CC(=C1OCC2=CC=CC=C2)SC)CCC3=CC=CC=C3

Isomeric SMILES

[B-](F)(F)(F)F.CC1=[N+](C=CC(=C1OCC2=CC=CC=C2)SC)CCC3=CC=CC=C3

InChI

InChI=1S/C22H24NOS.BF4/c1-18-22(24-17-20-11-7-4-8-12-20)21(25-2)14-16-23(18)15-13-19-9-5-3-6-10-19;2-1(3,4)5/h3-12,14,16H,13,15,17H2,1-2H3;/q+1;-1