3-(1-adamantyl)-1H-benzimidazol-3-ium chloride

Systemtic Name: 3-(1-adamantyl)-1H-benzimidazol-3-ium chloride Openeye Name: 3-(1-adamantyl)-1H-benzimidazol-3-ium chloride CAS Name: 3-(1-adamantyl)-1H-benzimidazol-3-ium chloride IUPAC Name: 3-(1-adamantyl)-1H-benzimidazol-3-ium chloride Traditional Name: 3-(1-adamantyl)-1H-benzimidazol-3-ium chloride Formula: C17H21ClN2 MolecularWeight: 288.81504

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[N+]4=CNC5=CC=CC=C54.[Cl-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[N+]4=CNC5=CC=CC=C54.[Cl-]

InChI

InChI=1S/C17H20N2.ClH/c1-2-4-16-15(3-1)18-11-19(16)17-8-12-5-13(9-17)7-14(6-12)10-17;/h1-4,11-14H,5-10H2;1H