(E)-[2-(4-methoxyphenyl)-6-oxidanyl-chromen-4-ylidene]-pyridin-2-yl-azanium perchlorate

Systemtic Name: (E)-[2-(4-methoxyphenyl)-6-oxidanyl-chromen-4-ylidene]-pyridin-2-yl-azanium perchlorate Openeye Name: (E)-[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]-(2-pyridyl)ammonium perchlorate CAS Name: (E)-[6-hydroxy-2-(4-methoxyphenyl)-1-benzopyran-4-ylidene]-(2-pyridinyl)ammonium perchlorate IUPAC Name: (E)-[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]-pyridin-2-ylazanium perchlorate Traditional Name: (E)-[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]-(2-pyridyl)ammonium perchlorate Formula: C21H17ClN2O7 MolecularWeight: 444.82188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=[NH+]C3=CC=CC=N3)C4=C(O2)C=CC(=C4)O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=C/C(=[NH+]\C3=CC=CC=N3)/C4=C(O2)C=CC(=C4)O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H16N2O3.ClHO4/c1-25-16-8-5-14(6-9-16)20-13-18(23-21-4-2-3-11-22-21)17-12-15(24)7-10-19(17)26-20;2-1(3,4)5/h2-13,24H,1H3;(H,2,3,4,5)/b23-18+;