[(1R)-2-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]-1-(4-methoxyphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]-1-(4-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]-1-(4-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[3-(3-bromo-4-methoxyphenyl)-1-oxopropyl]amino]-1-(4-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1R)-2-[3-(3-bromo-4-methoxyphenyl)propanoylamino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1R)-2-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]-1-(4-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C21H28BrN2O3+ MolecularWeight: 436.36262

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CCC1=CC(=C(C=C1)OC)Br)C2=CC=C(C=C2)OC

Isomeric SMILES

C[NH+](C)[C@@H](CNC(=O)CCC1=CC(=C(C=C1)OC)Br)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H27BrN2O3/c1-24(2)19(16-7-9-17(26-3)10-8-16)14-23-21(25)12-6-15-5-11-20(27-4)18(22)13-15/h5,7-11,13,19H,6,12,14H2,1-4H3,(H,23,25)/p+1/t19-/m0/s1