N-(2-chloranylpyridin-3-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chloranylpyridin-3-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chloro-3-pyridyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chloro-3-pyridinyl)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chloropyridin-3-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chloro-3-pyridyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C17H20ClN4O2+ MolecularWeight: 347.8193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN4O2/c18-17-15(2-1-7-19-17)20-16(24)12-21-8-10-22(11-9-21)13-3-5-14(23)6-4-13/h1-7,23H,8-12H2,(H,20,24)/p+1