tert-butyl N-[4-(2-methyl-5-oxidanidyl-imidazo[4,5-c]quinolin-5-ium-1-yl)butyl]carbamate

Systemtic Name: tert-butyl N-[4-(2-methyl-5-oxidanidyl-imidazo[4,5-c]quinolin-5-ium-1-yl)butyl]carbamate Openeye Name: tert-butyl N-[4-(2-methyl-5-oxido-imidazo[4,5-c]quinolin-5-ium-1-yl)butyl]carbamate CAS Name: N-[4-(2-methyl-5-oxido-1-imidazo[4,5-c]quinolin-5-iumyl)butyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(2-methyl-5-oxidoimidazo[4,5-c]quinolin-5-ium-1-yl)butyl]carbamate Traditional Name: N-[4-(2-methyl-5-oxido-imidazo[4,5-c]quinolin-5-ium-1-yl)butyl]carbamic acid tert-butyl ester Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CCCCNC(=O)OC(C)(C)C)C3=CC=CC=C3[N+](=C2)[O-]

Isomeric SMILES

CC1=NC2=C(N1CCCCNC(=O)OC(C)(C)C)C3=CC=CC=C3[N+](=C2)[O-]

InChI

InChI=1S/C20H26N4O3/c1-14-22-16-13-24(26)17-10-6-5-9-15(17)18(16)23(14)12-8-7-11-21-19(25)27-20(2,3)4/h5-6,9-10,13H,7-8,11-12H2,1-4H3,(H,21,25)