4-[1-[(3-chlorophenyl)methyl]benzimidazol-1-ium-2-ylidene]-1,2,5-oxadiazol-3-amine

Systemtic Name: 4-[1-[(3-chlorophenyl)methyl]benzimidazol-1-ium-2-ylidene]-1,2,5-oxadiazol-3-amine Openeye Name: 4-[1-[(3-chlorophenyl)methyl]benzimidazol-1-ium-2-ylidene]-1,2,5-oxadiazol-3-amine CAS Name: 4-[1-[(3-chlorophenyl)methyl]-2-benzimidazol-1-iumylidene]-1,2,5-oxadiazol-3-amine IUPAC Name: 4-[1-[(3-chlorophenyl)methyl]benzimidazol-1-ium-2-ylidene]-1,2,5-oxadiazol-3-amine Traditional Name: [4-[1-(3-chlorobenzyl)benzimidazol-1-ium-2-ylidene]furazan-3-yl]amine Formula: C16H13ClN5O+ MolecularWeight: 326.76032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=C3C(=NON3)N)[N+](=C2C=C1)CC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC2=NC(=C3C(=NON3)N)[N+](=C2C=C1)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C16H12ClN5O/c17-11-5-3-4-10(8-11)9-22-13-7-2-1-6-12(13)19-16(22)14-15(18)21-23-20-14/h1-8H,9H2,(H2,18,21)/p+1