1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-(benzimidazol-1-yl)ethanone

Systemtic Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-(benzimidazol-1-yl)ethanone Openeye Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-(benzimidazol-1-yl)ethanone CAS Name: 1-[4-(1-adamantyl)-1-piperazin-4-iumyl]-2-(1-benzimidazolyl)ethanone IUPAC Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-(benzimidazol-1-yl)ethanone Traditional Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-(benzimidazol-1-yl)ethanone Formula: C23H31N4O+ MolecularWeight: 379.51844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)CN5C=NC6=CC=CC=C65

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)CN5C=NC6=CC=CC=C65

InChI

InChI=1S/C23H30N4O/c28-22(15-26-16-24-20-3-1-2-4-21(20)26)25-5-7-27(8-6-25)23-12-17-9-18(13-23)11-19(10-17)14-23/h1-4,16-19H,5-15H2/p+1