(4-bromophenyl)methyl-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (4-bromophenyl)methyl-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (4-bromophenyl)methyl-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-bromophenyl)methyl-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-methylammonium IUPAC Name: (4-bromophenyl)methyl-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-methylazanium Traditional Name: (4-bromobenzyl)-[2-(homoveratrylamino)-2-keto-ethyl]-methyl-ammonium Formula: C20H26BrN2O3+ MolecularWeight: 422.33604

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)Br)CC(=O)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)Br)CC(=O)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H25BrN2O3/c1-23(13-16-4-7-17(21)8-5-16)14-20(24)22-11-10-15-6-9-18(25-2)19(12-15)26-3/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,24)/p+1