tert-butyl N-(2-butyl-9-oxidanidyl-pyrrolo[3,4-b]quinoxalin-9-ium-6-yl)carbamate

Systemtic Name: tert-butyl N-(2-butyl-9-oxidanidyl-pyrrolo[3,4-b]quinoxalin-9-ium-6-yl)carbamate Openeye Name: tert-butyl N-(2-butyl-9-oxido-pyrrolo[3,4-b]quinoxalin-9-ium-6-yl)carbamate CAS Name: N-(2-butyl-9-oxido-6-pyrrolo[3,4-b]quinoxalin-9-iumyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(2-butyl-9-oxidopyrrolo[3,4-b]quinoxalin-9-ium-6-yl)carbamate Traditional Name: N-(2-butyl-9-oxido-pyrrolo[3,4-b]quinoxalin-9-ium-6-yl)carbamic acid tert-butyl ester Formula: C19H24N4O3 MolecularWeight: 356.41886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C2C(=C1)[N+](=C3C=CC(=CC3=N2)NC(=O)OC(C)(C)C)[O-]

Isomeric SMILES

CCCCN1C=C2C(=C1)[N+](=C3C=CC(=CC3=N2)NC(=O)OC(C)(C)C)[O-]

InChI

InChI=1S/C19H24N4O3/c1-5-6-9-22-11-15-17(12-22)23(25)16-8-7-13(10-14(16)21-15)20-18(24)26-19(2,3)4/h7-8,10-12H,5-6,9H2,1-4H3,(H,20,24)