(E)-2-(3,4-dimethoxyphenyl)ethyl-(6-ethyl-2-phenyl-chromen-4-ylidene)azanium perchlorate

Systemtic Name: (E)-2-(3,4-dimethoxyphenyl)ethyl-(6-ethyl-2-phenyl-chromen-4-ylidene)azanium perchlorate Openeye Name: (E)-2-(3,4-dimethoxyphenyl)ethyl-(6-ethyl-2-phenyl-chromen-4-ylidene)ammonium perchlorate CAS Name: (E)-2-(3,4-dimethoxyphenyl)ethyl-(6-ethyl-2-phenyl-1-benzopyran-4-ylidene)ammonium perchlorate IUPAC Name: (E)-2-(3,4-dimethoxyphenyl)ethyl-(6-ethyl-2-phenylchromen-4-ylidene)azanium perchlorate Traditional Name: (E)-(6-ethyl-2-phenyl-chromen-4-ylidene)-homoveratryl-ammonium perchlorate Formula: C27H28ClNO7 MolecularWeight: 513.96672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=CC2=[NH+]CCC3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCC1=CC\2=C(C=C1)OC(=C/C2=[NH+]\CCC3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C27H27NO3.ClHO4/c1-4-19-10-12-24-22(16-19)23(18-26(31-24)21-8-6-5-7-9-21)28-15-14-20-11-13-25(29-2)27(17-20)30-3;2-1(3,4)5/h5-13,16-18H,4,14-15H2,1-3H3;(H,2,3,4,5)/b28-23+;