8-(1-adamantyl)-6-methoxy-3-(phenylmethyl)-2H-1,3-benzoxazin-3-ium

Systemtic Name: 8-(1-adamantyl)-6-methoxy-3-(phenylmethyl)-2H-1,3-benzoxazin-3-ium Openeye Name: 8-(1-adamantyl)-3-benzyl-6-methoxy-2H-1,3-benzoxazin-3-ium CAS Name: 8-(1-adamantyl)-6-methoxy-3-(phenylmethyl)-2H-1,3-benzoxazin-3-ium IUPAC Name: 8-(1-adamantyl)-3-benzyl-6-methoxy-2H-1,3-benzoxazin-3-ium Traditional Name: 8-(1-adamantyl)-3-benzyl-6-methoxy-2H-1,3-benzoxazin-3-ium Formula: C26H30NO2+ MolecularWeight: 388.5219

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C=[N+](CO2)CC3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC(=C2C(=C1)C=[N+](CO2)CC3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H30NO2/c1-28-23-10-22-16-27(15-18-5-3-2-4-6-18)17-29-25(22)24(11-23)26-12-19-7-20(13-26)9-21(8-19)14-26/h2-6,10-11,16,19-21H,7-9,12-15,17H2,1H3/q+1