2-(3,4-dimethoxyphenyl)ethyl-methyl-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(7-hydroxy-2-oxo-chromen-4-yl)methyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]-methylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(7-hydroxy-2-oxochromen-4-yl)methyl]-methylazanium Traditional Name: homoveratryl-[(7-hydroxy-2-keto-chromen-4-yl)methyl]-methyl-ammonium Formula: C21H24NO5+ MolecularWeight: 370.41896

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C21H23NO5/c1-22(9-8-14-4-7-18(25-2)20(10-14)26-3)13-15-11-21(24)27-19-12-16(23)5-6-17(15)19/h4-7,10-12,23H,8-9,13H2,1-3H3/p+1