tert-butyl N-[4-[4-(3-nitrophenyl)piperazin-1-ium-1-yl]butyl]carbamate

Systemtic Name: tert-butyl N-[4-[4-(3-nitrophenyl)piperazin-1-ium-1-yl]butyl]carbamate Openeye Name: tert-butyl N-[4-[4-(3-nitrophenyl)piperazin-1-ium-1-yl]butyl]carbamate CAS Name: N-[4-[4-(3-nitrophenyl)-1-piperazin-1-iumyl]butyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[4-(3-nitrophenyl)piperazin-1-ium-1-yl]butyl]carbamate Traditional Name: N-[4-[4-(3-nitrophenyl)piperazin-1-ium-1-yl]butyl]carbamic acid tert-butyl ester Formula: C19H31N4O4+ MolecularWeight: 379.47384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC[NH+]1CCN(CC1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC[NH+]1CCN(CC1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H30N4O4/c1-19(2,3)27-18(24)20-9-4-5-10-21-11-13-22(14-12-21)16-7-6-8-17(15-16)23(25)26/h6-8,15H,4-5,9-14H2,1-3H3,(H,20,24)/p+1