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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[6-methyl-2-(4-methylphenyl)chromen-4-ylidene]azanium perchlorate Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[6-methyl-2-(p-tolyl)chromen-4-ylidene]ammonium perchlorate CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[6-methyl-2-(4-methylphenyl)-1-benzopyran-4-ylidene]ammonium perchlorate IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[6-methyl-2-(4-methylphenyl)chromen-4-ylidene]azanium perchlorate Traditional Name: homoveratryl-[6-methyl-2-(p-tolyl)chromen-4-ylidene]ammonium perchlorate Formula: C27H28ClNO7 MolecularWeight: 513.96672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=[NH+]CCC3=CC(=C(C=C3)OC)OC)C4=C(O2)C=CC(=C4)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=[NH+]CCC3=CC(=C(C=C3)OC)OC)C4=C(O2)C=CC(=C4)C.[O-]Cl(=O)(=O)=O

InChI

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