[(1S)-2-[(5-bromanylpyridin-3-yl)carbonylamino]-1-(4-methoxyphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(5-bromanylpyridin-3-yl)carbonylamino]-1-(4-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(5-bromopyridine-3-carbonyl)amino]-1-(4-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-1-(4-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(5-bromopyridine-3-carbonyl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(5-bromonicotinoyl)amino]-1-(4-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C17H21BrN3O2+ MolecularWeight: 379.27154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrN3O2/c1-21(2)16(12-4-6-15(23-3)7-5-12)11-20-17(22)13-8-14(18)10-19-9-13/h4-10,16H,11H2,1-3H3,(H,20,22)/p+1/t16-/m1/s1