N-[2-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]ethyl]-1-ethoxy-methanimidate

Systemtic Name: N-[2-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]ethyl]-1-ethoxy-methanimidate Openeye Name: N-[2-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)ethyl]-1-ethoxy-methanimidate CAS Name: N-[2-(N-[(5-bromo-1-propyl-3-pyridin-1-iumyl)-oxomethyl]anilino)ethyl]-1-ethoxymethanimidate IUPAC Name: N-[2-(N-(5-bromo-1-propylpyridin-1-ium-3-carbonyl)anilino)ethyl]-1-ethoxymethanimidate Traditional Name: N-[2-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)ethyl]-1-ethoxy-formimidate Formula: C20H24BrN3O3 MolecularWeight: 434.32686

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCN=C([O-])OCC)C2=CC=CC=C2

Isomeric SMILES

CCC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCN=C([O-])OCC)C2=CC=CC=C2

InChI

InChI=1S/C20H24BrN3O3/c1-3-11-23-14-16(13-17(21)15-23)19(25)24(18-8-6-5-7-9-18)12-10-22-20(26)27-4-2/h5-9,13-15H,3-4,10-12H2,1-2H3