[6-chloranyl-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate

Systemtic Name: [6-chloranyl-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate Openeye Name: [6-chloro-2-(4-methoxyphenyl)chromen-4-ylidene]-(3-pyridylmethyl)ammonium perchlorate CAS Name: [6-chloro-2-(4-methoxyphenyl)-1-benzopyran-4-ylidene]-(3-pyridinylmethyl)ammonium perchlorate IUPAC Name: [6-chloro-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate Traditional Name: [6-chloro-2-(4-methoxyphenyl)chromen-4-ylidene]-(3-pyridylmethyl)ammonium perchlorate Formula: C22H18Cl2N2O6 MolecularWeight: 477.29412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=[NH+]CC3=CN=CC=C3)C4=C(O2)C=CC(=C4)Cl.[O-]Cl(=O)(=O)=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=[NH+]CC3=CN=CC=C3)C4=C(O2)C=CC(=C4)Cl.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C22H17ClN2O2.ClHO4/c1-26-18-7-4-16(5-8-18)22-12-20(25-14-15-3-2-10-24-13-15)19-11-17(23)6-9-21(19)27-22;2-1(3,4)5/h2-13H,14H2,1H3;(H,2,3,4,5)