3,4,4-trimethyl-6,8-bis(2-methylbutan-2-yl)-3-phenyl-2H-1,3-benzoxazin-3-ium

Systemtic Name: 3,4,4-trimethyl-6,8-bis(2-methylbutan-2-yl)-3-phenyl-2H-1,3-benzoxazin-3-ium Openeye Name: 6,8-bis(1,1-dimethylpropyl)-3,4,4-trimethyl-3-phenyl-2H-1,3-benzoxazin-3-ium CAS Name: 3,4,4-trimethyl-6,8-bis(2-methylbutan-2-yl)-3-phenyl-2H-1,3-benzoxazin-3-ium IUPAC Name: 3,4,4-trimethyl-6,8-bis(2-methylbutan-2-yl)-3-phenyl-2H-1,3-benzoxazin-3-ium Traditional Name: 6,8-ditert-amyl-3,4,4-trimethyl-3-phenyl-2H-1,3-benzoxazin-3-ium Formula: C27H40NO+ MolecularWeight: 394.6126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C2C(=C1)C([N+](CO2)(C)C3=CC=CC=C3)(C)C)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C2C(=C1)C([N+](CO2)(C)C3=CC=CC=C3)(C)C)C(C)(C)CC

InChI

InChI=1S/C27H40NO/c1-10-25(3,4)20-17-22(26(5,6)11-2)24-23(18-20)27(7,8)28(9,19-29-24)21-15-13-12-14-16-21/h12-18H,10-11,19H2,1-9H3/q+1