2-(3,4-dimethoxyphenyl)ethyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]azanium Traditional Name: homoveratryl-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl]ammonium Formula: C21H24NO5+ MolecularWeight: 370.41896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH2+]CCC3=CC(=C(C=C3)OC)OC)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH2+]CCC3=CC(=C(C=C3)OC)OC)O

InChI

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