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

Systemtic Name: 8-(1-adamantyl)-3-phenyl-1,3-benzoxazin-3-ium-2-one Openeye Name: 8-(1-adamantyl)-3-phenyl-1,3-benzoxazin-3-ium-2-one CAS Name: 8-(1-adamantyl)-3-phenyl-1,3-benzoxazin-3-ium-2-one IUPAC Name: 8-(1-adamantyl)-3-phenyl-1,3-benzoxazin-3-ium-2-one Traditional Name: 8-(1-adamantyl)-3-phenyl-1,3-benzoxazin-3-ium-2-one Formula: C24H24NO2+ MolecularWeight: 358.45286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24NO2/c26-23-25(20-6-2-1-3-7-20)15-19-5-4-8-21(22(19)27-23)24-12-16-9-17(13-24)11-18(10-16)14-24/h1-8,15-18H,9-14H2/q+1