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

Systemtic Name: 8-(1-adamantyl)-6-methoxy-3-(2-methylcyclohexyl)-2H-1,3-benzoxazin-3-ium Openeye Name: 8-(1-adamantyl)-6-methoxy-3-(2-methylcyclohexyl)-2H-1,3-benzoxazin-3-ium CAS Name: 8-(1-adamantyl)-6-methoxy-3-(2-methylcyclohexyl)-2H-1,3-benzoxazin-3-ium IUPAC Name: 8-(1-adamantyl)-6-methoxy-3-(2-methylcyclohexyl)-2H-1,3-benzoxazin-3-ium Traditional Name: 8-(1-adamantyl)-6-methoxy-3-(2-methylcyclohexyl)-2H-1,3-benzoxazin-3-ium Formula: C26H36NO2+ MolecularWeight: 394.56954

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[N+]2=CC3=CC(=CC(=C3OC2)C45CC6CC(C4)CC(C6)C5)OC

Isomeric SMILES

CC1CCCCC1[N+]2=CC3=CC(=CC(=C3OC2)C45CC6CC(C4)CC(C6)C5)OC

InChI

InChI=1S/C26H36NO2/c1-17-5-3-4-6-24(17)27-15-21-10-22(28-2)11-23(25(21)29-16-27)26-12-18-7-19(13-26)9-20(8-18)14-26/h10-11,15,17-20,24H,3-9,12-14,16H2,1-2H3/q+1