2-(4-fluoranylphenoxy)ethyl N-[2-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonylamino]ethyl]-N-phenyl-carbamate

Systemtic Name: 2-(4-fluoranylphenoxy)ethyl N-[2-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonylamino]ethyl]-N-phenyl-carbamate Openeye Name: 2-(4-fluorophenoxy)ethyl N-[2-[(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)amino]ethyl]-N-phenyl-carbamate CAS Name: N-[2-[[(5-bromo-1-propyl-3-pyridin-1-iumyl)-oxomethyl]amino]ethyl]-N-phenylcarbamic acid 2-(4-fluorophenoxy)ethyl ester IUPAC Name: 2-(4-fluorophenoxy)ethyl N-[2-[(5-bromo-1-propylpyridin-1-ium-3-carbonyl)amino]ethyl]-N-phenylcarbamate Traditional Name: N-[2-[(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)amino]ethyl]-N-phenyl-carbamic acid 2-(4-fluorophenoxy)ethyl ester Formula: C26H28BrFN3O4+ MolecularWeight: 545.420623

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC(=CC(=C1)Br)C(=O)NCCN(C2=CC=CC=C2)C(=O)OCCOC3=CC=C(C=C3)F

Isomeric SMILES

CCC[N+]1=CC(=CC(=C1)Br)C(=O)NCCN(C2=CC=CC=C2)C(=O)OCCOC3=CC=C(C=C3)F

InChI

InChI=1S/C26H27BrFN3O4/c1-2-13-30-18-20(17-21(27)19-30)25(32)29-12-14-31(23-6-4-3-5-7-23)26(33)35-16-15-34-24-10-8-22(28)9-11-24/h3-11,17-19H,2,12-16H2,1H3/p+1