N-(5-chloranyl-2-phenoxy-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(5-chloranyl-2-phenoxy-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(5-chloro-2-phenoxy-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(5-chloro-2-phenoxyphenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-chloro-2-phenoxyphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(5-chloro-2-phenoxy-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C23H25ClN4O2+2 MolecularWeight: 424.9232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H23ClN4O2/c24-18-9-10-21(30-19-6-2-1-3-7-19)20(16-18)26-23(29)17-27-12-14-28(15-13-27)22-8-4-5-11-25-22/h1-11,16H,12-15,17H2,(H,26,29)/p+2