tert-butyl N-[3-(2-butyl-5-oxidanidyl-imidazo[4,5-c]quinolin-5-ium-1-yl)propyl]carbamate

Systemtic Name: tert-butyl N-[3-(2-butyl-5-oxidanidyl-imidazo[4,5-c]quinolin-5-ium-1-yl)propyl]carbamate Openeye Name: tert-butyl N-[3-(2-butyl-5-oxido-imidazo[4,5-c]quinolin-5-ium-1-yl)propyl]carbamate CAS Name: N-[3-(2-butyl-5-oxido-1-imidazo[4,5-c]quinolin-5-iumyl)propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(2-butyl-5-oxidoimidazo[4,5-c]quinolin-5-ium-1-yl)propyl]carbamate Traditional Name: N-[3-(2-butyl-5-oxido-imidazo[4,5-c]quinolin-5-ium-1-yl)propyl]carbamic acid tert-butyl ester Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CCCNC(=O)OC(C)(C)C)C3=CC=CC=C3[N+](=C2)[O-]

Isomeric SMILES

CCCCC1=NC2=C(N1CCCNC(=O)OC(C)(C)C)C3=CC=CC=C3[N+](=C2)[O-]

InChI

InChI=1S/C22H30N4O3/c1-5-6-12-19-24-17-15-26(28)18-11-8-7-10-16(18)20(17)25(19)14-9-13-23-21(27)29-22(2,3)4/h7-8,10-11,15H,5-6,9,12-14H2,1-4H3,(H,23,27)