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

Systemtic Name: 8-(1-adamantyl)-3-(cyclohexylmethyl)-1,3-benzoxazin-3-ium-2-one Openeye Name: 8-(1-adamantyl)-3-(cyclohexylmethyl)-1,3-benzoxazin-3-ium-2-one CAS Name: 8-(1-adamantyl)-3-(cyclohexylmethyl)-1,3-benzoxazin-3-ium-2-one IUPAC Name: 8-(1-adamantyl)-3-(cyclohexylmethyl)-1,3-benzoxazin-3-ium-2-one Traditional Name: 8-(1-adamantyl)-3-(cyclohexylmethyl)-1,3-benzoxazin-3-ium-2-one Formula: C25H32NO2+ MolecularWeight: 378.52708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[N+]2=CC3=C(C(=CC=C3)C45CC6CC(C4)CC(C6)C5)OC2=O

Isomeric SMILES

C1CCC(CC1)C[N+]2=CC3=C(C(=CC=C3)C45CC6CC(C4)CC(C6)C5)OC2=O

InChI

InChI=1S/C25H32NO2/c27-24-26(15-17-5-2-1-3-6-17)16-21-7-4-8-22(23(21)28-24)25-12-18-9-19(13-25)11-20(10-18)14-25/h4,7-8,16-20H,1-3,5-6,9-15H2/q+1