2-(3,4-dimethoxyphenyl)ethyl-[6-ethoxy-2-(4-methoxyphenyl)chromen-4-ylidene]azanium perchlorate

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[6-ethoxy-2-(4-methoxyphenyl)chromen-4-ylidene]azanium perchlorate Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[6-ethoxy-2-(4-methoxyphenyl)chromen-4-ylidene]ammonium perchlorate CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[6-ethoxy-2-(4-methoxyphenyl)-1-benzopyran-4-ylidene]ammonium perchlorate IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[6-ethoxy-2-(4-methoxyphenyl)chromen-4-ylidene]azanium perchlorate Traditional Name: [6-ethoxy-2-(4-methoxyphenyl)chromen-4-ylidene]-homoveratryl-ammonium perchlorate Formula: C28H30ClNO9 MolecularWeight: 559.9921

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=CC2=[NH+]CCC3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)OC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=CC2=[NH+]CCC3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)OC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C28H29NO5.ClHO4/c1-5-33-22-11-13-25-23(17-22)24(18-27(34-25)20-7-9-21(30-2)10-8-20)29-15-14-19-6-12-26(31-3)28(16-19)32-4;2-1(3,4)5/h6-13,16-18H,5,14-15H2,1-4H3;(H,2,3,4,5)