2-(2-chloranyl-4-phenyl-phenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(2-chloranyl-4-phenyl-phenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(2-chloro-4-phenyl-phenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(2-chloro-4-phenylphenoxy)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2-chloro-4-phenylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(2-chloro-4-phenyl-phenoxy)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C23H23ClN3O2+ MolecularWeight: 408.90062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC3=C(C=C(C=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC3=C(C=C(C=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H22ClN3O2/c24-20-16-19(18-6-2-1-3-7-18)9-10-21(20)29-17-23(28)27-14-12-26(13-15-27)22-8-4-5-11-25-22/h1-11,16H,12-15,17H2/p+1