[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethoxy]-5-phenyl-phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethoxy]-5-phenyl-phenyl]methyl-dimethyl-azanium Openeye Name: [2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethoxy]-5-phenyl-phenyl]methyl-dimethyl-ammonium CAS Name: [2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethoxy]-5-phenylphenyl]methyl-dimethylammonium IUPAC Name: [2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethoxy]-5-phenylphenyl]methyl-dimethylazanium Traditional Name: [2-[2-(homoveratrylamino)-2-keto-ethoxy]-5-phenyl-benzyl]-dimethyl-ammonium Formula: C27H33N2O4+ MolecularWeight: 449.56192

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC(=C1)C2=CC=CC=C2)OCC(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[NH+](C)CC1=C(C=CC(=C1)C2=CC=CC=C2)OCC(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C27H32N2O4/c1-29(2)18-23-17-22(21-8-6-5-7-9-21)11-13-24(23)33-19-27(30)28-15-14-20-10-12-25(31-3)26(16-20)32-4/h5-13,16-17H,14-15,18-19H2,1-4H3,(H,28,30)/p+1