tert-butyl 4-(1-methylimidazo[4,5-c]pyridin-1-ium-1-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(1-methylimidazo[4,5-c]pyridin-1-ium-1-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(1-methylimidazo[4,5-c]pyridin-1-ium-1-yl)piperazine-1-carboxylate CAS Name: 4-(1-methyl-1-imidazo[4,5-c]pyridin-1-iumyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-methylimidazo[4,5-c]pyridin-1-ium-1-yl)piperazine-1-carboxylate Traditional Name: 4-(1-methylimidazo[4,5-c]pyridin-1-ium-1-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C16H24N5O2+ MolecularWeight: 318.39406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)[N+]2(C=NC3=C2C=CN=C3)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)[N+]2(C=NC3=C2C=CN=C3)C

InChI

InChI=1S/C16H24N5O2/c1-16(2,3)23-15(22)19-7-9-20(10-8-19)21(4)12-18-13-11-17-6-5-14(13)21/h5-6,11-12H,7-10H2,1-4H3/q+1