2-[2-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]ethoxycarbonylamino]ethyl morpholine-4-carboxylate

Systemtic Name: 2-[2-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]ethoxycarbonylamino]ethyl morpholine-4-carboxylate Openeye Name: 2-[2-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]ethyl morpholine-4-carboxylate CAS Name: 4-morpholinecarboxylic acid 2-[[2-(N-[(5-bromo-1-propyl-3-pyridin-1-iumyl)-oxomethyl]anilino)ethoxy-oxomethyl]amino]ethyl ester IUPAC Name: 2-[2-(N-(5-bromo-1-propylpyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]ethyl morpholine-4-carboxylate Traditional Name: morpholine-4-carboxylic acid 2-[2-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]ethyl ester Formula: C25H32BrN4O6+ MolecularWeight: 564.44878

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCOC(=O)NCCOC(=O)N2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

CCC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCOC(=O)NCCOC(=O)N2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C25H31BrN4O6/c1-2-9-28-18-20(17-21(26)19-28)23(31)30(22-6-4-3-5-7-22)12-16-35-24(32)27-8-13-36-25(33)29-10-14-34-15-11-29/h3-7,17-19H,2,8-16H2,1H3/p+1