[2-(4-methoxyphenyl)-6-oxidanyl-chromen-4-ylidene]-(oxolan-2-ylmethyl)azanium perchlorate

Systemtic Name: [2-(4-methoxyphenyl)-6-oxidanyl-chromen-4-ylidene]-(oxolan-2-ylmethyl)azanium perchlorate Openeye Name: [6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]-(tetrahydrofuran-2-ylmethyl)ammonium perchlorate CAS Name: [6-hydroxy-2-(4-methoxyphenyl)-1-benzopyran-4-ylidene]-(2-oxolanylmethyl)ammonium perchlorate IUPAC Name: [6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]-(oxolan-2-ylmethyl)azanium perchlorate Traditional Name: [6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]-(tetrahydrofurfuryl)ammonium perchlorate Formula: C21H22ClNO8 MolecularWeight: 451.85428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=[NH+]CC3CCCO3)C4=C(O2)C=CC(=C4)O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=[NH+]CC3CCCO3)C4=C(O2)C=CC(=C4)O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H21NO4.ClHO4/c1-24-16-7-4-14(5-8-16)21-12-19(22-13-17-3-2-10-25-17)18-11-15(23)6-9-20(18)26-21;2-1(3,4)5/h4-9,11-12,17,23H,2-3,10,13H2,1H3;(H,2,3,4,5)