2-(4-chloranylphenoxy)-1-[4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-chloranylphenoxy)-1-[4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-chlorophenoxy)-1-[4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-chlorophenoxy)-1-[4-(3-pyridin-1-iumylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-chlorophenoxy)-1-[4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-chlorophenoxy)-1-[4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C18H22ClN3O2+2 MolecularWeight: 347.83918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C[NH+]=CC=C2)C(=O)COC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=C[NH+]=CC=C2)C(=O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H20ClN3O2/c19-16-3-5-17(6-4-16)24-14-18(23)22-10-8-21(9-11-22)13-15-2-1-7-20-12-15/h1-7,12H,8-11,13-14H2/p+2