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

Systemtic Name: 3-(3-chlorophenyl)-1-ethyl-4-methylsulfanyl-5-(3-propan-2-yloxyphenyl)pyridin-1-ium Openeye Name: 3-(3-chlorophenyl)-1-ethyl-5-(3-isopropoxyphenyl)-4-methylsulfanyl-pyridin-1-ium CAS Name: 3-(3-chlorophenyl)-1-ethyl-4-(methylthio)-5-(3-propan-2-yloxyphenyl)pyridin-1-ium IUPAC Name: 3-(3-chlorophenyl)-1-ethyl-4-methylsulfanyl-5-(3-propan-2-yloxyphenyl)pyridin-1-ium Traditional Name: 3-(3-chlorophenyl)-1-ethyl-5-(3-isopropoxyphenyl)-4-(methylthio)pyridin-1-ium Formula: C23H25ClNOS+ MolecularWeight: 398.9687

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(=C(C(=C1)C2=CC(=CC=C2)OC(C)C)SC)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC[N+]1=CC(=C(C(=C1)C2=CC(=CC=C2)OC(C)C)SC)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H25ClNOS/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/h6-16H,5H2,1-4H3/q+1