N-(5-chloranylpyridin-2-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(5-chloro-2-pyridyl)acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-(5-chloro-2-pyridinyl)acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(5-chloropyridin-2-yl)acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(5-chloro-2-pyridyl)acetamide Formula: C18H20ClN4O2+ MolecularWeight: 359.83

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4O2/c19-15-6-7-16(20-12-15)21-17(24)13-22-8-10-23(11-9-22)18(25)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,20,21,24)/p+1