1-[2-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]ethoxycarbonylamino]propan-2-yl ethanoate chloride

Systemtic Name: 1-[2-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]ethoxycarbonylamino]propan-2-yl ethanoate chloride Openeye Name: [2-[2-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]-1-methyl-ethyl] acetate chloride CAS Name: acetic acid 1-[[2-(N-[(5-bromo-1-propyl-3-pyridin-1-iumyl)-oxomethyl]anilino)ethoxy-oxomethyl]amino]propan-2-yl ester chloride IUPAC Name: 1-[2-(N-(5-bromo-1-propylpyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]propan-2-yl acetate chloride Traditional Name: acetic acid [2-[2-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]-1-methyl-ethyl] ester chloride Formula: C23H29BrClN3O5 MolecularWeight: 542.85046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCOC(=O)NCC(C)OC(=O)C)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCOC(=O)NCC(C)OC(=O)C)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C23H28BrN3O5.ClH/c1-4-10-26-15-19(13-20(24)16-26)22(29)27(21-8-6-5-7-9-21)11-12-31-23(30)25-14-17(2)32-18(3)28;/h5-9,13,15-17H,4,10-12,14H2,1-3H3;1H