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

Systemtic Name: 8-(1-adamantyl)-3-(cyclohexylmethyl)-2H-1,3-benzoxazin-3-ium Openeye Name: 8-(1-adamantyl)-3-(cyclohexylmethyl)-2H-1,3-benzoxazin-3-ium CAS Name: 8-(1-adamantyl)-3-(cyclohexylmethyl)-2H-1,3-benzoxazin-3-ium IUPAC Name: 8-(1-adamantyl)-3-(cyclohexylmethyl)-2H-1,3-benzoxazin-3-ium Traditional Name: 8-(1-adamantyl)-3-(cyclohexylmethyl)-2H-1,3-benzoxazin-3-ium Formula: C25H34NO+ MolecularWeight: 364.54356

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H34NO/c1-2-5-18(6-3-1)15-26-16-22-7-4-8-23(24(22)27-17-26)25-12-19-9-20(13-25)11-21(10-19)14-25/h4,7-8,16,18-21H,1-3,5-6,9-15,17H2/q+1