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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C=[N+](CO2)CC3CCCCC3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC(=C2C(=C1)C=[N+](CO2)CC3CCCCC3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H36NO2/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/h10-11,16,18-21H,2-9,12-15,17H2,1H3/q+1