2-(3,4-dimethoxyphenyl)ethyl-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]-methyl-azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]-methyl-azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]-methylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl]-methylazanium Traditional Name: (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl-homoveratryl-methyl-ammonium Formula: C23H28NO5+ MolecularWeight: 398.47212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CCC3=CC(=C(C=C3)OC)OC)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CCC3=CC(=C(C=C3)OC)OC)O

InChI

InChI=1S/C23H27NO5/c1-5-16-11-18-17(12-23(26)29-21(18)13-19(16)25)14-24(2)9-8-15-6-7-20(27-3)22(10-15)28-4/h6-7,10-13,25H,5,8-9,14H2,1-4H3/p+1