5-bromanyl-1-tert-butyl-6-methyl-3-phenyl-2,1-benzoxazol-1-ium

Systemtic Name: 5-bromanyl-1-tert-butyl-6-methyl-3-phenyl-2,1-benzoxazol-1-ium Openeye Name: 5-bromo-1-tert-butyl-6-methyl-3-phenyl-2,1-benzoxazol-1-ium CAS Name: 5-bromo-1-tert-butyl-6-methyl-3-phenyl-2,1-benzoxazol-1-ium IUPAC Name: 5-bromo-1-tert-butyl-6-methyl-3-phenyl-2,1-benzoxazol-1-ium Traditional Name: 5-bromo-1-tert-butyl-6-methyl-3-phenyl-anthranil-1-ium Formula: C18H19BrNO+ MolecularWeight: 345.25356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[N+](OC(=C2C=C1Br)C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC1=CC2=[N+](OC(=C2C=C1Br)C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C18H19BrNO/c1-12-10-16-14(11-15(12)19)17(13-8-6-5-7-9-13)21-20(16)18(2,3)4/h5-11H,1-4H3/q+1