6-methyl-3-(4-methylphenyl)-8-(2-phenylpropan-2-yl)-2H-1,3-benzoxazin-3-ium

Systemtic Name: 6-methyl-3-(4-methylphenyl)-8-(2-phenylpropan-2-yl)-2H-1,3-benzoxazin-3-ium Openeye Name: 6-methyl-8-(1-methyl-1-phenyl-ethyl)-3-(p-tolyl)-2H-1,3-benzoxazin-3-ium CAS Name: 6-methyl-3-(4-methylphenyl)-8-(2-phenylpropan-2-yl)-2H-1,3-benzoxazin-3-ium IUPAC Name: 6-methyl-3-(4-methylphenyl)-8-(2-phenylpropan-2-yl)-2H-1,3-benzoxazin-3-ium Traditional Name: 8-cumyl-6-methyl-3-(p-tolyl)-2H-1,3-benzoxazin-3-ium Formula: C25H26NO+ MolecularWeight: 356.48004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=CC3=CC(=CC(=C3OC2)C(C)(C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=CC3=CC(=CC(=C3OC2)C(C)(C)C4=CC=CC=C4)C

InChI

InChI=1S/C25H26NO/c1-18-10-12-22(13-11-18)26-16-20-14-19(2)15-23(24(20)27-17-26)25(3,4)21-8-6-5-7-9-21/h5-16H,17H2,1-4H3/q+1