2-(4-bromanylphenoxy)ethyl-methyl-[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl]azanium

Systemtic Name: 2-(4-bromanylphenoxy)ethyl-methyl-[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl]azanium Openeye Name: 2-(4-bromophenoxy)ethyl-methyl-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]ammonium CAS Name: 2-(4-bromophenoxy)ethyl-methyl-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]ammonium IUPAC Name: 2-(4-bromophenoxy)ethyl-methyl-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]azanium Traditional Name: 2-(4-bromophenoxy)ethyl-[2-keto-2-(3,4,5-trimethoxyanilino)ethyl]-methyl-ammonium Formula: C20H26BrN2O5+ MolecularWeight: 454.33484

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=C(C=C1)Br)CC(=O)NC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

C[NH+](CCOC1=CC=C(C=C1)Br)CC(=O)NC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C20H25BrN2O5/c1-23(9-10-28-16-7-5-14(21)6-8-16)13-19(24)22-15-11-17(25-2)20(27-4)18(12-15)26-3/h5-8,11-12H,9-10,13H2,1-4H3,(H,22,24)/p+1