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

Systemtic Name: 6-methoxy-3-(2-methylcyclohexyl)-8-(2-phenylpropan-2-yl)-1,3-benzoxazin-3-ium-2-one Openeye Name: 6-methoxy-3-(2-methylcyclohexyl)-8-(1-methyl-1-phenyl-ethyl)-1,3-benzoxazin-3-ium-2-one CAS Name: 6-methoxy-3-(2-methylcyclohexyl)-8-(2-phenylpropan-2-yl)-1,3-benzoxazin-3-ium-2-one IUPAC Name: 6-methoxy-3-(2-methylcyclohexyl)-8-(2-phenylpropan-2-yl)-1,3-benzoxazin-3-ium-2-one Traditional Name: 8-cumyl-6-methoxy-3-(2-methylcyclohexyl)-1,3-benzoxazin-3-ium-2-one Formula: C25H30NO3+ MolecularWeight: 392.5106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[N+]2=CC3=CC(=CC(=C3OC2=O)C(C)(C)C4=CC=CC=C4)OC

Isomeric SMILES

CC1CCCCC1[N+]2=CC3=CC(=CC(=C3OC2=O)C(C)(C)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H30NO3/c1-17-10-8-9-13-22(17)26-16-18-14-20(28-4)15-21(23(18)29-24(26)27)25(2,3)19-11-6-5-7-12-19/h5-7,11-12,14-17,22H,8-10,13H2,1-4H3/q+1