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

Systemtic Name: 3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-thiophen-2-yl-1,2-oxazole Openeye Name: 3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-(2-thienyl)isoxazole CAS Name: 3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-5-thiophen-2-ylisoxazole IUPAC Name: 3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-thiophen-2-yl-1,2-oxazole Traditional Name: 3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)isoxazole Formula: C16H18N5OS+ MolecularWeight: 328.41202

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CS3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CS3)C4=NC=CC=N4

InChI

InChI=1S/C16H17N5OS/c1-3-15(23-10-1)14-11-13(19-22-14)12-20-6-8-21(9-7-20)16-17-4-2-5-18-16/h1-5,10-11H,6-9,12H2/p+1