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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=[N+](CO2)C3=CC=CC=C3)C4C5CC6CC(C5)CC4C6

Isomeric SMILES

CC1=CC(=C2C(=C1)C=[N+](CO2)C3=CC=CC=C3)C4C5CC6CC(C5)CC4C6

InChI

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