(2S)-1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: (2S)-1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: (2S)-1-piperazin-1-yl-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: (2S)-1-(1-piperazinyl)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2S)-1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: (2S)-1-piperazino-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propan-1-one Formula: C16H26N5O+ MolecularWeight: 304.41054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCNCC1)[NH+]2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

C[C@@H](C(=O)N1CCNCC1)[NH+]2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C16H25N5O/c1-14(16(22)21-8-6-17-7-9-21)19-10-12-20(13-11-19)15-4-2-3-5-18-15/h2-5,14,17H,6-13H2,1H3/p+1/t14-/m0/s1