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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=C3C(=CC(=C2)OC)C=[N+](C(=O)O3)CC4CCCCC4

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=C3C(=CC(=C2)OC)C=[N+](C(=O)O3)CC4CCCCC4

InChI

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