8-(1-adamantyl)-6-methyl-3-phenyl-2H-1,3-benzoxazin-3-ium

Systemtic Name: 8-(1-adamantyl)-6-methyl-3-phenyl-2H-1,3-benzoxazin-3-ium Openeye Name: 8-(1-adamantyl)-6-methyl-3-phenyl-2H-1,3-benzoxazin-3-ium CAS Name: 8-(1-adamantyl)-6-methyl-3-phenyl-2H-1,3-benzoxazin-3-ium IUPAC Name: 8-(1-adamantyl)-6-methyl-3-phenyl-2H-1,3-benzoxazin-3-ium Traditional Name: 8-(1-adamantyl)-6-methyl-3-phenyl-2H-1,3-benzoxazin-3-ium Formula: C25H28NO+ MolecularWeight: 358.49592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=[N+](CO2)C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC(=C2C(=C1)C=[N+](CO2)C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H28NO/c1-17-7-21-15-26(22-5-3-2-4-6-22)16-27-24(21)23(8-17)25-12-18-9-19(13-25)11-20(10-18)14-25/h2-8,15,18-20H,9-14,16H2,1H3/q+1