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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[6-methoxy-2-(4-methoxyphenyl)chromen-4-ylidene]azanium perchlorate Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[6-methoxy-2-(4-methoxyphenyl)chromen-4-ylidene]ammonium perchlorate CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[6-methoxy-2-(4-methoxyphenyl)-1-benzopyran-4-ylidene]ammonium perchlorate IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[6-methoxy-2-(4-methoxyphenyl)chromen-4-ylidene]azanium perchlorate Traditional Name: homoveratryl-[6-methoxy-2-(4-methoxyphenyl)chromen-4-ylidene]ammonium perchlorate Formula: C27H28ClNO9 MolecularWeight: 545.96552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=[NH+]CCC3=CC(=C(C=C3)OC)OC)C4=C(O2)C=CC(=C4)OC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=[NH+]CCC3=CC(=C(C=C3)OC)OC)C4=C(O2)C=CC(=C4)OC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C27H27NO5.ClHO4/c1-29-20-8-6-19(7-9-20)26-17-23(22-16-21(30-2)10-12-24(22)33-26)28-14-13-18-5-11-25(31-3)27(15-18)32-4;2-1(3,4)5/h5-12,15-17H,13-14H2,1-4H3;(H,2,3,4,5)