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

Systemtic Name: 3-(2-methylcyclohexyl)-8-(2-phenylpropan-2-yl)-1,3-benzoxazin-3-ium-2-one Openeye Name: 3-(2-methylcyclohexyl)-8-(1-methyl-1-phenyl-ethyl)-1,3-benzoxazin-3-ium-2-one CAS Name: 3-(2-methylcyclohexyl)-8-(2-phenylpropan-2-yl)-1,3-benzoxazin-3-ium-2-one IUPAC Name: 3-(2-methylcyclohexyl)-8-(2-phenylpropan-2-yl)-1,3-benzoxazin-3-ium-2-one Traditional Name: 8-cumyl-3-(2-methylcyclohexyl)-1,3-benzoxazin-3-ium-2-one Formula: C24H28NO2+ MolecularWeight: 362.48462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28NO2/c1-17-10-7-8-15-21(17)25-16-18-11-9-14-20(22(18)27-23(25)26)24(2,3)19-12-5-4-6-13-19/h4-6,9,11-14,16-17,21H,7-8,10,15H2,1-3H3/q+1