N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(2,4-dichlorophenyl)ethyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(2,4-dichlorophenyl)ethyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C18H22Cl2N5O+ MolecularWeight: 395.30618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCC2=C(C=C(C=C2)Cl)Cl)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCC2=C(C=C(C=C2)Cl)Cl)C3=NC=CC=N3

InChI

InChI=1S/C18H21Cl2N5O/c19-15-3-2-14(16(20)12-15)4-7-21-17(26)13-24-8-10-25(11-9-24)18-22-5-1-6-23-18/h1-3,5-6,12H,4,7-11,13H2,(H,21,26)/p+1