8-(1-adamantyl)-3-(phenylmethyl)-1,3-benzoxazin-3-ium-2-one

Systemtic Name: 8-(1-adamantyl)-3-(phenylmethyl)-1,3-benzoxazin-3-ium-2-one Openeye Name: 8-(1-adamantyl)-3-benzyl-1,3-benzoxazin-3-ium-2-one CAS Name: 8-(1-adamantyl)-3-(phenylmethyl)-1,3-benzoxazin-3-ium-2-one IUPAC Name: 8-(1-adamantyl)-3-benzyl-1,3-benzoxazin-3-ium-2-one Traditional Name: 8-(1-adamantyl)-3-benzyl-1,3-benzoxazin-3-ium-2-one Formula: C25H26NO2+ MolecularWeight: 372.47944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=CC5=C4OC(=O)[N+](=C5)CC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=CC5=C4OC(=O)[N+](=C5)CC6=CC=CC=C6

InChI

InChI=1S/C25H26NO2/c27-24-26(15-17-5-2-1-3-6-17)16-21-7-4-8-22(23(21)28-24)25-12-18-9-19(13-25)11-20(10-18)14-25/h1-8,16,18-20H,9-15H2/q+1