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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[N+]2=CC3=C(C(=CC=C3)C45CC6CC(C4)CC(C6)C5)OC2=O

Isomeric SMILES

CC1CCCCC1[N+]2=CC3=C(C(=CC=C3)C45CC6CC(C4)CC(C6)C5)OC2=O

InChI

InChI=1S/C25H32NO2/c1-16-5-2-3-8-22(16)26-15-20-6-4-7-21(23(20)28-24(26)27)25-12-17-9-18(13-25)11-19(10-17)14-25/h4,6-7,15-19,22H,2-3,5,8-14H2,1H3/q+1