4-[1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]benzimidazol-1-ium-2-ylidene]-1,2,5-oxadiazol-3-amine

Systemtic Name: 4-[1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]benzimidazol-1-ium-2-ylidene]-1,2,5-oxadiazol-3-amine Openeye Name: 4-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]benzimidazol-1-ium-2-ylidene]-1,2,5-oxadiazol-3-amine CAS Name: 4-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-benzimidazol-1-iumylidene]-1,2,5-oxadiazol-3-amine IUPAC Name: 4-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]benzimidazol-1-ium-2-ylidene]-1,2,5-oxadiazol-3-amine Traditional Name: [4-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]benzimidazol-1-ium-2-ylidene]furazan-3-yl]amine Formula: C17H13ClN5O3+ MolecularWeight: 370.76982

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C[N+]3=C4C=CC=CC4=NC3=C5C(=NON5)N)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C[N+]3=C4C=CC=CC4=NC3=C5C(=NON5)N)Cl

InChI

InChI=1S/C17H12ClN5O3/c18-10-6-14-13(24-8-25-14)5-9(10)7-23-12-4-2-1-3-11(12)20-17(23)15-16(19)22-26-21-15/h1-6H,7-8H2,(H2,19,22)/p+1