(4-bromophenyl)methyl-methyl-[2-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]azanium

Systemtic Name: (4-bromophenyl)methyl-methyl-[2-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]azanium Openeye Name: (4-bromophenyl)methyl-methyl-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]ammonium CAS Name: (4-bromophenyl)methyl-methyl-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]ammonium IUPAC Name: (4-bromophenyl)methyl-methyl-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]azanium Traditional Name: (4-bromobenzyl)-[2-keto-2-[(2,4,5-trimethoxybenzyl)amino]ethyl]-methyl-ammonium Formula: C20H26BrN2O4+ MolecularWeight: 438.33544

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)Br)CC(=O)NCC2=CC(=C(C=C2OC)OC)OC

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)Br)CC(=O)NCC2=CC(=C(C=C2OC)OC)OC

InChI

InChI=1S/C20H25BrN2O4/c1-23(12-14-5-7-16(21)8-6-14)13-20(24)22-11-15-9-18(26-3)19(27-4)10-17(15)25-2/h5-10H,11-13H2,1-4H3,(H,22,24)/p+1