[4-[2-(2-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone

Systemtic Name: [4-[2-(2-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone Openeye Name: [4-[2-(2-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-(2-thioxo-1H-pyridin-3-yl)methanone CAS Name: [4-[2-(2-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone IUPAC Name: [4-[2-(2-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone Traditional Name: [4-[2-(2-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-(2-thioxo-1H-pyridin-3-yl)methanone Formula: C18H21ClN3O2S+ MolecularWeight: 378.89624

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2Cl)C(=O)C3=CC=CNC3=S

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2Cl)C(=O)C3=CC=CNC3=S

InChI

InChI=1S/C18H20ClN3O2S/c19-15-5-1-2-6-16(15)24-13-12-21-8-10-22(11-9-21)18(23)14-4-3-7-20-17(14)25/h1-7H,8-13H2,(H,20,25)/p+1