1-[2-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]ethoxycarbonylamino]propan-2-yl ethanoate

Systemtic Name: 1-[2-[(5-bromanyl-1-propyl-pyridin-1-ium-3-yl)carbonyl-phenyl-amino]ethoxycarbonylamino]propan-2-yl ethanoate Openeye Name: [2-[2-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]-1-methyl-ethyl] acetate CAS Name: acetic acid 1-[[2-(N-[(5-bromo-1-propyl-3-pyridin-1-iumyl)-oxomethyl]anilino)ethoxy-oxomethyl]amino]propan-2-yl ester IUPAC Name: 1-[2-(N-(5-bromo-1-propylpyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]propan-2-yl acetate Traditional Name: acetic acid [2-[2-(N-(5-bromo-1-propyl-pyridin-1-ium-3-carbonyl)anilino)ethoxycarbonylamino]-1-methyl-ethyl] ester Formula: C23H29BrN3O5+ MolecularWeight: 507.39746

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCOC(=O)NCC(C)OC(=O)C)C2=CC=CC=C2

Isomeric SMILES

CCC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCOC(=O)NCC(C)OC(=O)C)C2=CC=CC=C2

InChI

InChI=1S/C23H28BrN3O5/c1-4-10-26-15-19(13-20(24)16-26)22(29)27(21-8-6-5-7-9-21)11-12-31-23(30)25-14-17(2)32-18(3)28/h5-9,13,15-17H,4,10-12,14H2,1-3H3/p+1