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

Systemtic Name: ethyl N-[2-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]ethyl]carbamate Openeye Name: ethyl N-[2-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)ethyl]carbamate CAS Name: N-[2-(N-[(5-bromo-1-propyl-3-pyridin-1-iumyl)-oxomethyl]anilino)ethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-(N-(5-bromo-1-propylpyridin-1-ium-3-carbonyl)anilino)ethyl]carbamate Traditional Name: N-[2-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)ethyl]carbamic acid ethyl ester Formula: C20H25BrN3O3+ MolecularWeight: 435.3348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCNC(=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/p+1