N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[[5-(4-chlorophenyl)-2-furyl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[[5-(4-chlorophenyl)-2-furanyl]methyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[[5-(4-chlorophenyl)-2-furyl]methyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C21H23ClN5O2+ MolecularWeight: 412.89262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=C(O2)C3=CC=C(C=C3)Cl)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=C(O2)C3=CC=C(C=C3)Cl)C4=NC=CC=N4

InChI

InChI=1S/C21H22ClN5O2/c22-17-4-2-16(3-5-17)19-7-6-18(29-19)14-25-20(28)15-26-10-12-27(13-11-26)21-23-8-1-9-24-21/h1-9H,10-15H2,(H,25,28)/p+1