3-[3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazol-4-yl]-5-(pyridin-1-ium-1-ylmethyl)-1,2,4-oxadiazole chloride

Systemtic Name: 3-[3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazol-4-yl]-5-(pyridin-1-ium-1-ylmethyl)-1,2,4-oxadiazole chloride Openeye Name: 3-[3-(2,6-dichlorophenyl)-5-methyl-isoxazol-4-yl]-5-(pyridin-1-ium-1-ylmethyl)-1,2,4-oxadiazole chloride CAS Name: 3-[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]-5-(1-pyridin-1-iumylmethyl)-1,2,4-oxadiazole chloride IUPAC Name: 3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-(pyridin-1-ium-1-ylmethyl)-1,2,4-oxadiazole chloride Traditional Name: 3-[3-(2,6-dichlorophenyl)-5-methyl-isoxazol-4-yl]-5-(pyridin-1-ium-1-ylmethyl)-1,2,4-oxadiazole chloride Formula: C18H13Cl3N4O2 MolecularWeight: 423.68042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C3=NOC(=N3)C[N+]4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C3=NOC(=N3)C[N+]4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C18H13Cl2N4O2.ClH/c1-11-15(17(22-25-11)16-12(19)6-5-7-13(16)20)18-21-14(26-23-18)10-24-8-3-2-4-9-24;/h2-9H,10H2,1H3;1H/q+1;/p-1