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

Systemtic Name: 5-(4-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole Openeye Name: 5-(4-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]oxazole CAS Name: 5-(4-chlorophenyl)-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]oxazole IUPAC Name: 5-(4-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole Traditional Name: 5-(4-chlorophenyl)-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]oxazole Formula: C18H19ClN5O+ MolecularWeight: 356.82936

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC=C(O2)C3=CC=C(C=C3)Cl)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC=C(O2)C3=CC=C(C=C3)Cl)C4=NC=CC=N4

InChI

InChI=1S/C18H18ClN5O/c19-15-4-2-14(3-5-15)16-12-22-17(25-16)13-23-8-10-24(11-9-23)18-20-6-1-7-21-18/h1-7,12H,8-11,13H2/p+1