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

Systemtic Name: 3-(4-methoxyphenyl)-6,8-bis(2-methylbutan-2-yl)-2H-1,3-benzoxazin-3-ium Openeye Name: 6,8-bis(1,1-dimethylpropyl)-3-(4-methoxyphenyl)-2H-1,3-benzoxazin-3-ium CAS Name: 3-(4-methoxyphenyl)-6,8-bis(2-methylbutan-2-yl)-2H-1,3-benzoxazin-3-ium IUPAC Name: 3-(4-methoxyphenyl)-6,8-bis(2-methylbutan-2-yl)-2H-1,3-benzoxazin-3-ium Traditional Name: 6,8-ditert-amyl-3-(4-methoxyphenyl)-2H-1,3-benzoxazin-3-ium Formula: C25H34NO2+ MolecularWeight: 380.54296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34NO2/c1-8-24(3,4)19-14-18-16-26(20-10-12-21(27-7)13-11-20)17-28-23(18)22(15-19)25(5,6)9-2/h10-16H,8-9,17H2,1-7H3/q+1