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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C=[N+](C(=O)O2)CC3CCCCC3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC(=C2C(=C1)C=[N+](C(=O)O2)CC3CCCCC3)C45CC6CC(C4)CC(C6)C5

InChI

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