2-[2-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]ethoxycarbonylamino]ethyl N-(9H-fluoren-9-yl)carbamate

Systemtic Name: 2-[2-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]ethoxycarbonylamino]ethyl N-(9H-fluoren-9-yl)carbamate Openeye Name: 2-[2-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]ethyl N-(9H-fluoren-9-yl)carbamate CAS Name: N-(9H-fluoren-9-yl)carbamic 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 N-(9H-fluoren-9-yl)carbamate Traditional Name: N-(9H-fluoren-9-yl)carbamic acid 2-[2-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]ethyl ester Formula: C34H34BrN4O5+ MolecularWeight: 658.56156

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCOC(=O)NCCOC(=O)NC2C3=CC=CC=C3C4=CC=CC=C24)C5=CC=CC=C5

Isomeric SMILES

CCC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCOC(=O)NCCOC(=O)NC2C3=CC=CC=C3C4=CC=CC=C24)C5=CC=CC=C5

InChI

InChI=1S/C34H33BrN4O5/c1-2-17-38-22-24(21-25(35)23-38)32(40)39(26-10-4-3-5-11-26)18-20-44-33(41)36-16-19-43-34(42)37-31-29-14-8-6-12-27(29)28-13-7-9-15-30(28)31/h3-15,21-23,31H,2,16-20H2,1H3,(H-,36,37,41,42)/p+1