1-(1-adamantyl)-2-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanone Openeye Name: 1-(1-adamantyl)-2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)ethanone CAS Name: 1-(1-adamantyl)-2-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]ethanone IUPAC Name: 1-(1-adamantyl)-2-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)ethanone Traditional Name: 1-(1-adamantyl)-2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)ethanone Formula: C26H30N3O+ MolecularWeight: 400.5359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CN4C5=CC=CC=C5[N+](=C4N)CC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CN4C5=CC=CC=C5[N+](=C4N)CC6=CC=CC=C6

InChI

InChI=1S/C26H29N3O/c27-25-28(16-18-6-2-1-3-7-18)22-8-4-5-9-23(22)29(25)17-24(30)26-13-19-10-20(14-26)12-21(11-19)15-26/h1-9,19-21,27H,10-17H2/p+1