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

Systemtic Name: 8-(1-adamantyl)-6-methoxy-3-(2-methylcyclohexyl)-1,3-benzoxazin-3-ium-2-one Openeye Name: 8-(1-adamantyl)-6-methoxy-3-(2-methylcyclohexyl)-1,3-benzoxazin-3-ium-2-one CAS Name: 8-(1-adamantyl)-6-methoxy-3-(2-methylcyclohexyl)-1,3-benzoxazin-3-ium-2-one IUPAC Name: 8-(1-adamantyl)-6-methoxy-3-(2-methylcyclohexyl)-1,3-benzoxazin-3-ium-2-one Traditional Name: 8-(1-adamantyl)-6-methoxy-3-(2-methylcyclohexyl)-1,3-benzoxazin-3-ium-2-one Formula: C26H34NO3+ MolecularWeight: 408.55306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34NO3/c1-16-5-3-4-6-23(16)27-15-20-10-21(29-2)11-22(24(20)30-25(27)28)26-12-17-7-18(13-26)9-19(8-17)14-26/h10-11,15-19,23H,3-9,12-14H2,1-2H3/q+1