3-(4-methoxyphenyl)-6,8-bis(2-phenylpropan-2-yl)-1,3-benzoxazin-3-ium-2-one

Systemtic Name: 3-(4-methoxyphenyl)-6,8-bis(2-phenylpropan-2-yl)-1,3-benzoxazin-3-ium-2-one Openeye Name: 3-(4-methoxyphenyl)-6,8-bis(1-methyl-1-phenyl-ethyl)-1,3-benzoxazin-3-ium-2-one CAS Name: 3-(4-methoxyphenyl)-6,8-bis(2-phenylpropan-2-yl)-1,3-benzoxazin-3-ium-2-one IUPAC Name: 3-(4-methoxyphenyl)-6,8-bis(2-phenylpropan-2-yl)-1,3-benzoxazin-3-ium-2-one Traditional Name: 6,8-dicumyl-3-(4-methoxyphenyl)-1,3-benzoxazin-3-ium-2-one Formula: C33H32NO3+ MolecularWeight: 490.61208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC(=C3C(=C2)C=[N+](C(=O)O3)C4=CC=C(C=C4)OC)C(C)(C)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC(=C3C(=C2)C=[N+](C(=O)O3)C4=CC=C(C=C4)OC)C(C)(C)C5=CC=CC=C5

InChI

InChI=1S/C33H32NO3/c1-32(2,24-12-8-6-9-13-24)26-20-23-22-34(27-16-18-28(36-5)19-17-27)31(35)37-30(23)29(21-26)33(3,4)25-14-10-7-11-15-25/h6-22H,1-5H3/q+1