6-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazin-3-ium-4-one perchlorate

Systemtic Name: 6-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazin-3-ium-4-one perchlorate Openeye Name: 6-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazin-3-ium-4-one perchlorate CAS Name: 6-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazin-3-ium-4-one perchlorate IUPAC Name: 6-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazin-3-ium-4-one perchlorate Traditional Name: 6-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazin-3-ium-4-one perchlorate Formula: C13H12ClNO6 MolecularWeight: 313.69048

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=[NH+]C(=O)C=C(O1)C2=CC=CC=C2.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C/C=C/C1=[NH+]C(=O)C=C(O1)C2=CC=CC=C2.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C13H11NO2.ClHO4/c1-2-6-13-14-12(15)9-11(16-13)10-7-4-3-5-8-10;2-1(3,4)5/h2-9H,1H3;(H,2,3,4,5)/b6-2+;