5-chloranyl-2-(2-piperazin-4-ium-1-ylpyrimidin-5-yl)-1,3-benzoxazole

Systemtic Name: 5-chloranyl-2-(2-piperazin-4-ium-1-ylpyrimidin-5-yl)-1,3-benzoxazole Openeye Name: 5-chloro-2-(2-piperazin-4-ium-1-ylpyrimidin-5-yl)-1,3-benzoxazole CAS Name: 5-chloro-2-[2-(1-piperazin-4-iumyl)-5-pyrimidinyl]-1,3-benzoxazole IUPAC Name: 5-chloro-2-(2-piperazin-4-ium-1-ylpyrimidin-5-yl)-1,3-benzoxazole Traditional Name: 5-chloro-2-(2-piperazin-4-ium-1-ylpyrimidin-5-yl)-1,3-benzoxazole Formula: C15H15ClN5O+ MolecularWeight: 316.7655

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NC=C(C=N2)C3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NC=C(C=N2)C3=NC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C15H14ClN5O/c16-11-1-2-13-12(7-11)20-14(22-13)10-8-18-15(19-9-10)21-5-3-17-4-6-21/h1-2,7-9,17H,3-6H2/p+1