(3,4-dimethoxyphenyl)methyl-methyl-[2-oxidanylidene-2-[(4-phenylmethoxyphenyl)amino]ethyl]azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-methyl-[2-oxidanylidene-2-[(4-phenylmethoxyphenyl)amino]ethyl]azanium Openeye Name: [2-(4-benzyloxyanilino)-2-oxo-ethyl]-[(3,4-dimethoxyphenyl)methyl]-methyl-ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium Traditional Name: [2-(4-benzoxyanilino)-2-keto-ethyl]-methyl-veratryl-ammonium Formula: C25H29N2O4+ MolecularWeight: 421.50876

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OC)OC)CC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC)OC)CC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C25H28N2O4/c1-27(16-20-9-14-23(29-2)24(15-20)30-3)17-25(28)26-21-10-12-22(13-11-21)31-18-19-7-5-4-6-8-19/h4-15H,16-18H2,1-3H3,(H,26,28)/p+1