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

Systemtic Name: 8-(1-adamantyl)-3-(phenylmethyl)-2H-1,3-benzoxazin-3-ium Openeye Name: 8-(1-adamantyl)-3-benzyl-2H-1,3-benzoxazin-3-ium CAS Name: 8-(1-adamantyl)-3-(phenylmethyl)-2H-1,3-benzoxazin-3-ium IUPAC Name: 8-(1-adamantyl)-3-benzyl-2H-1,3-benzoxazin-3-ium Traditional Name: 8-(1-adamantyl)-3-benzyl-2H-1,3-benzoxazin-3-ium Formula: C25H28NO+ MolecularWeight: 358.49592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28NO/c1-2-5-18(6-3-1)15-26-16-22-7-4-8-23(24(22)27-17-26)25-12-19-9-20(13-25)11-21(10-19)14-25/h1-8,16,19-21H,9-15,17H2/q+1