6-bromanyl-2-ethyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3-benzoxazol-3-ium-3-carboxamide

Systemtic Name: 6-bromanyl-2-ethyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3-benzoxazol-3-ium-3-carboxamide Openeye Name: 6-bromo-7-(3-tert-butoxypropyl)-2-ethyl-1,3-benzoxazol-3-ium-3-carboxamide CAS Name: 6-bromo-2-ethyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3-benzoxazol-3-ium-3-carboxamide IUPAC Name: 6-bromo-2-ethyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3-benzoxazol-3-ium-3-carboxamide Traditional Name: 6-bromo-7-(3-tert-butoxypropyl)-2-ethyl-1,3-benzoxazol-3-ium-3-carboxamide Formula: C17H24BrN2O3+ MolecularWeight: 384.28806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C2=C(O1)C(=C(C=C2)Br)CCCOC(C)(C)C)C(=O)N

Isomeric SMILES

CCC1=[N+](C2=C(O1)C(=C(C=C2)Br)CCCOC(C)(C)C)C(=O)N

InChI

InChI=1S/C17H23BrN2O3/c1-5-14-20(16(19)21)13-9-8-12(18)11(15(13)23-14)7-6-10-22-17(2,3)4/h8-9H,5-7,10H2,1-4H3,(H-,19,21)/p+1