3-butoxy-1-ethyl-5-(3-fluorophenyl)-4-methylsulfanyl-pyridin-1-ium

Systemtic Name: 3-butoxy-1-ethyl-5-(3-fluorophenyl)-4-methylsulfanyl-pyridin-1-ium Openeye Name: 3-butoxy-1-ethyl-5-(3-fluorophenyl)-4-methylsulfanyl-pyridin-1-ium CAS Name: 3-butoxy-1-ethyl-5-(3-fluorophenyl)-4-(methylthio)pyridin-1-ium IUPAC Name: 3-butoxy-1-ethyl-5-(3-fluorophenyl)-4-methylsulfanylpyridin-1-ium Traditional Name: 3-butoxy-1-ethyl-5-(3-fluorophenyl)-4-(methylthio)pyridin-1-ium Formula: C18H23FNOS+ MolecularWeight: 320.444723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=C[N+](=C1)CC)C2=CC(=CC=C2)F)SC

Isomeric SMILES

CCCCOC1=C(C(=C[N+](=C1)CC)C2=CC(=CC=C2)F)SC

InChI

InChI=1S/C18H23FNOS/c1-4-6-10-21-17-13-20(5-2)12-16(18(17)22-3)14-8-7-9-15(19)11-14/h7-9,11-13H,4-6,10H2,1-3H3/q+1