3-(2,4-dichlorophenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole

Systemtic Name: 3-(2,4-dichlorophenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole Openeye Name: 3-(2,4-dichlorophenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]isoxazole CAS Name: 3-(2,4-dichlorophenyl)-5-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 3-(2,4-dichlorophenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole Traditional Name: 3-(2,4-dichlorophenyl)-5-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]isoxazole Formula: C18H18Cl2N5O+ MolecularWeight: 391.27442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=NO2)C3=C(C=C(C=C3)Cl)Cl)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=NO2)C3=C(C=C(C=C3)Cl)Cl)C4=NC=CC=N4

InChI

InChI=1S/C18H17Cl2N5O/c19-13-2-3-15(16(20)10-13)17-11-14(26-23-17)12-24-6-8-25(9-7-24)18-21-4-1-5-22-18/h1-5,10-11H,6-9,12H2/p+1