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

Systemtic Name: 3-(4-methoxyphenyl)-6,8-bis(2-phenylpropan-2-yl)-2H-1,3-benzoxazin-3-ium Openeye Name: 3-(4-methoxyphenyl)-6,8-bis(1-methyl-1-phenyl-ethyl)-2H-1,3-benzoxazin-3-ium CAS Name: 3-(4-methoxyphenyl)-6,8-bis(2-phenylpropan-2-yl)-2H-1,3-benzoxazin-3-ium IUPAC Name: 3-(4-methoxyphenyl)-6,8-bis(2-phenylpropan-2-yl)-2H-1,3-benzoxazin-3-ium Traditional Name: 6,8-dicumyl-3-(4-methoxyphenyl)-2H-1,3-benzoxazin-3-ium Formula: C33H34NO2+ MolecularWeight: 476.62856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC(=C3C(=C2)C=[N+](CO3)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+](CO3)C4=CC=C(C=C4)OC)C(C)(C)C5=CC=CC=C5

InChI

InChI=1S/C33H34NO2/c1-32(2,25-12-8-6-9-13-25)27-20-24-22-34(28-16-18-29(35-5)19-17-28)23-36-31(24)30(21-27)33(3,4)26-14-10-7-11-15-26/h6-22H,23H2,1-5H3/q+1