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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(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]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl]-methylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]-methylazanium Traditional Name: homoveratryl-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl]-methyl-ammonium Formula: C22H26NO5+ MolecularWeight: 384.44554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5/c1-14-18(24)7-6-17-16(12-21(25)28-22(14)17)13-23(2)10-9-15-5-8-19(26-3)20(11-15)27-4/h5-8,11-12,24H,9-10,13H2,1-4H3/p+1