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

Systemtic Name: 3-butoxy-1-ethyl-5-(3-fluorophenyl)-4-methylsulfanyl-pyridin-1-ium nitrate Openeye Name: 3-butoxy-1-ethyl-5-(3-fluorophenyl)-4-methylsulfanyl-pyridin-1-ium nitrate CAS Name: 3-butoxy-1-ethyl-5-(3-fluorophenyl)-4-(methylthio)pyridin-1-ium nitrate IUPAC Name: 3-butoxy-1-ethyl-5-(3-fluorophenyl)-4-methylsulfanylpyridin-1-ium nitrate Traditional Name: 3-butoxy-1-ethyl-5-(3-fluorophenyl)-4-(methylthio)pyridin-1-ium nitrate Formula: C18H23FN2O4S MolecularWeight: 382.449623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23FNOS.NO3/c1-4-6-10-21-17-13-20(5-2)12-16(18(17)22-3)14-8-7-9-15(19)11-14;2-1(3)4/h7-9,11-13H,4-6,10H2,1-3H3;/q+1;-1