lithium 3-(3-chlorophenyl)-1-ethyl-4-methylsulfanyl-5-(3-propan-2-yloxyphenyl)pyridin-1-ium sulfate

Systemtic Name: lithium 3-(3-chlorophenyl)-1-ethyl-4-methylsulfanyl-5-(3-propan-2-yloxyphenyl)pyridin-1-ium sulfate Openeye Name: lithium 3-(3-chlorophenyl)-1-ethyl-5-(3-isopropoxyphenyl)-4-methylsulfanyl-pyridin-1-ium sulfate CAS Name: lithium 3-(3-chlorophenyl)-1-ethyl-4-(methylthio)-5-(3-propan-2-yloxyphenyl)pyridin-1-ium sulfate IUPAC Name: lithium 3-(3-chlorophenyl)-1-ethyl-4-methylsulfanyl-5-(3-propan-2-yloxyphenyl)pyridin-1-ium sulfate Traditional Name: lithium 3-(3-chlorophenyl)-1-ethyl-5-(3-isopropoxyphenyl)-4-(methylthio)pyridin-1-ium sulfate Formula: C23H25ClLiNO5S2 MolecularWeight: 501.9723

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC[N+]1=CC(=C(C(=C1)C2=CC(=CC=C2)OC(C)C)SC)C3=CC(=CC=C3)Cl.[O-]S(=O)(=O)[O-]

Isomeric SMILES

[Li+].CC[N+]1=CC(=C(C(=C1)C2=CC(=CC=C2)OC(C)C)SC)C3=CC(=CC=C3)Cl.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C23H25ClNOS.Li.H2O4S/c1-5-25-14-21(17-8-6-10-19(24)12-17)23(27-4)22(15-25)18-9-7-11-20(13-18)26-16(2)3;;1-5(2,3)4/h6-16H,5H2,1-4H3;;(H2,1,2,3,4)/q2*+1;/p-2