2-[(Z)-1-bromanyl-2-phenyl-ethenyl]-1,3-benzoxazin-3-ium-4-one perchlorate

Systemtic Name: 2-[(Z)-1-bromanyl-2-phenyl-ethenyl]-1,3-benzoxazin-3-ium-4-one perchlorate Openeye Name: 2-[(Z)-1-bromo-2-phenyl-vinyl]-1,3-benzoxazin-3-ium-4-one perchlorate CAS Name: 2-[(Z)-1-bromo-2-phenylethenyl]-1,3-benzoxazin-3-ium-4-one perchlorate IUPAC Name: 2-[(Z)-1-bromo-2-phenylethenyl]-1,3-benzoxazin-3-ium-4-one perchlorate Traditional Name: 2-[(Z)-1-bromo-2-phenyl-vinyl]-1,3-benzoxazin-3-ium-4-one perchlorate Formula: C16H11BrClNO6 MolecularWeight: 428.61864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C(C2=[NH+]C(=O)C3=CC=CC=C3O2)Br.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)/C=C(/C2=[NH+]C(=O)C3=CC=CC=C3O2)\Br.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C16H10BrNO2.ClHO4/c17-13(10-11-6-2-1-3-7-11)16-18-15(19)12-8-4-5-9-14(12)20-16;2-1(3,4)5/h1-10H;(H,2,3,4,5)/b13-10-;