[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone

Systemtic Name: [4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone Openeye Name: [4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-(2-methylsulfanyl-3-pyridyl)methanone CAS Name: [4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-[2-(methylthio)-3-pyridinyl]methanone IUPAC Name: [4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone Traditional Name: [4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-[2-(methylthio)-3-pyridyl]methanone Formula: C19H23ClN3O2S+ MolecularWeight: 392.92282

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)Cl

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H22ClN3O2S/c1-26-18-17(3-2-8-21-18)19(24)23-11-9-22(10-12-23)13-14-25-16-6-4-15(20)5-7-16/h2-8H,9-14H2,1H3/p+1