(2R)-N-tert-butyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-tert-butyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-tert-butyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-tert-butyl-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-tert-butyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-tert-butyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C16H28N4O+2 MolecularWeight: 292.41972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)[NH+]1CCN(CC1)C2=CC=CC=[NH+]2

Isomeric SMILES

C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN(CC1)C2=CC=CC=[NH+]2

InChI

InChI=1S/C16H26N4O/c1-13(15(21)18-16(2,3)4)19-9-11-20(12-10-19)14-7-5-6-8-17-14/h5-8,13H,9-12H2,1-4H3,(H,18,21)/p+2/t13-/m1/s1