tert-butyl 4-[2-[7-bromanyl-2-(ethoxymethyl)-5-oxidanidyl-imidazo[4,5-c]quinolin-5-ium-1-yl]ethyl]-4-oxidanidyl-piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[7-bromanyl-2-(ethoxymethyl)-5-oxidanidyl-imidazo[4,5-c]quinolin-5-ium-1-yl]ethyl]-4-oxidanidyl-piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[2-[7-bromo-2-(ethoxymethyl)-5-oxido-imidazo[4,5-c]quinolin-5-ium-1-yl]ethyl]-4-oxido-piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[7-bromo-2-(ethoxymethyl)-5-oxido-1-imidazo[4,5-c]quinolin-5-iumyl]ethyl]-4-oxido-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[7-bromo-2-(ethoxymethyl)-5-oxidoimidazo[4,5-c]quinolin-5-ium-1-yl]ethyl]-4-oxidopiperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[7-bromo-2-(ethoxymethyl)-5-oxido-imidazo[4,5-c]quinolin-5-ium-1-yl]ethyl]-4-oxido-piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C24H32BrN5O5 MolecularWeight: 550.44538

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=NC2=C[N+](=C3C=C(C=CC3=C2N1CC[N+]4(CCN(CC4)C(=O)OC(C)(C)C)[O-])Br)[O-]

Isomeric SMILES

CCOCC1=NC2=C[N+](=C3C=C(C=CC3=C2N1CC[N+]4(CCN(CC4)C(=O)OC(C)(C)C)[O-])Br)[O-]

InChI

InChI=1S/C24H32BrN5O5/c1-5-34-16-21-26-19-15-29(32)20-14-17(25)6-7-18(20)22(19)28(21)10-13-30(33)11-8-27(9-12-30)23(31)35-24(2,3)4/h6-7,14-15H,5,8-13,16H2,1-4H3