2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3-oxobenzo[f]chromen-1-yl)methyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3-oxo-1-benzo[f][1]benzopyranyl)methyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium Traditional Name: homoveratryl-[(3-ketobenzo[f]chromen-1-yl)methyl]-methyl-ammonium Formula: C25H26NO4+ MolecularWeight: 404.47824

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C25H25NO4/c1-26(13-12-17-8-10-21(28-2)23(14-17)29-3)16-19-15-24(27)30-22-11-9-18-6-4-5-7-20(18)25(19)22/h4-11,14-15H,12-13,16H2,1-3H3/p+1