N-[3,5-bis(chloranyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3,5-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(3,5-dichlorophenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3,5-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3,5-dichlorophenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C16H18Cl2N5O+ MolecularWeight: 367.25302

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC(=C2)Cl)Cl)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC(=C2)Cl)Cl)C3=NC=CC=N3

InChI

InChI=1S/C16H17Cl2N5O/c17-12-8-13(18)10-14(9-12)21-15(24)11-22-4-6-23(7-5-22)16-19-2-1-3-20-16/h1-3,8-10H,4-7,11H2,(H,21,24)/p+1