5,7-bis(2-methylbutan-2-yl)-2-phenyl-3H-4,1,2-benzothiadiazin-2-ium

Systemtic Name: 5,7-bis(2-methylbutan-2-yl)-2-phenyl-3H-4,1,2-benzothiadiazin-2-ium Openeye Name: 5,7-bis(1,1-dimethylpropyl)-2-phenyl-3H-4,1,2-benzothiadiazin-2-ium CAS Name: 5,7-bis(2-methylbutan-2-yl)-2-phenyl-3H-4,1,2-benzothiadiazin-2-ium IUPAC Name: 5,7-bis(2-methylbutan-2-yl)-2-phenyl-3H-4,1,2-benzothiadiazin-2-ium Traditional Name: 5,7-ditert-amyl-2-phenyl-3H-4,1,2-benzothiadiazin-2-ium Formula: C23H31N2S+ MolecularWeight: 367.57064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N2S/c1-7-22(3,4)17-14-19(23(5,6)8-2)21-20(15-17)24-25(16-26-21)18-12-10-9-11-13-18/h9-15H,7-8,16H2,1-6H3/q+1