8-(1-adamantyl)-3-(4-methoxyphenyl)-6-methyl-2H-1,3-benzoxazin-3-ium

Systemtic Name: 8-(1-adamantyl)-3-(4-methoxyphenyl)-6-methyl-2H-1,3-benzoxazin-3-ium Openeye Name: 8-(1-adamantyl)-3-(4-methoxyphenyl)-6-methyl-2H-1,3-benzoxazin-3-ium CAS Name: 8-(1-adamantyl)-3-(4-methoxyphenyl)-6-methyl-2H-1,3-benzoxazin-3-ium IUPAC Name: 8-(1-adamantyl)-3-(4-methoxyphenyl)-6-methyl-2H-1,3-benzoxazin-3-ium Traditional Name: 8-(1-adamantyl)-3-(4-methoxyphenyl)-6-methyl-2H-1,3-benzoxazin-3-ium Formula: C26H30NO2+ MolecularWeight: 388.5219

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30NO2/c1-17-7-21-15-27(22-3-5-23(28-2)6-4-22)16-29-25(21)24(8-17)26-12-18-9-19(13-26)11-20(10-18)14-26/h3-8,15,18-20H,9-14,16H2,1-2H3/q+1