4-chloranyl-1-ethyl-3-(4-fluorophenyl)-5-(3-propylphenyl)pyridin-1-ium sulfate

Systemtic Name: 4-chloranyl-1-ethyl-3-(4-fluorophenyl)-5-(3-propylphenyl)pyridin-1-ium sulfate Openeye Name: 4-chloro-1-ethyl-3-(4-fluorophenyl)-5-(3-propylphenyl)pyridin-1-ium sulfate CAS Name: 4-chloro-1-ethyl-3-(4-fluorophenyl)-5-(3-propylphenyl)pyridin-1-ium sulfate IUPAC Name: 4-chloro-1-ethyl-3-(4-fluorophenyl)-5-(3-propylphenyl)pyridin-1-ium sulfate Traditional Name: 4-chloro-1-ethyl-3-(4-fluorophenyl)-5-(3-propylphenyl)pyridin-1-ium sulfate Formula: C22H22ClFNO4S- MolecularWeight: 450.930783

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC(=C1)C2=C(C(=C[N+](=C2)CC)C3=CC=C(C=C3)F)Cl.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCC1=CC=CC(=C1)C2=C(C(=C[N+](=C2)CC)C3=CC=C(C=C3)F)Cl.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C22H22ClFN.H2O4S/c1-3-6-16-7-5-8-18(13-16)21-15-25(4-2)14-20(22(21)23)17-9-11-19(24)12-10-17;1-5(2,3)4/h5,7-15H,3-4,6H2,1-2H3;(H2,1,2,3,4)/q+1;/p-2