6,8-bis(2-methylbutan-2-yl)-3-(2,4,6-trimethylphenyl)-2H-1,3-benzothiazin-3-ium

Systemtic Name: 6,8-bis(2-methylbutan-2-yl)-3-(2,4,6-trimethylphenyl)-2H-1,3-benzothiazin-3-ium Openeye Name: 6,8-bis(1,1-dimethylpropyl)-3-(2,4,6-trimethylphenyl)-2H-1,3-benzothiazin-3-ium CAS Name: 6,8-bis(2-methylbutan-2-yl)-3-(2,4,6-trimethylphenyl)-2H-1,3-benzothiazin-3-ium IUPAC Name: 6,8-bis(2-methylbutan-2-yl)-3-(2,4,6-trimethylphenyl)-2H-1,3-benzothiazin-3-ium Traditional Name: 6,8-ditert-amyl-3-mesityl-2H-1,3-benzothiazin-3-ium Formula: C27H38NS+ MolecularWeight: 408.66232

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C2C(=C1)C=[N+](CS2)C3=C(C=C(C=C3C)C)C)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C2C(=C1)C=[N+](CS2)C3=C(C=C(C=C3C)C)C)C(C)(C)CC

InChI

InChI=1S/C27H38NS/c1-10-26(6,7)22-14-21-16-28(24-19(4)12-18(3)13-20(24)5)17-29-25(21)23(15-22)27(8,9)11-2/h12-16H,10-11,17H2,1-9H3/q+1