(4-pyrimidin-2-ylpiperazin-1-yl)-[(2S)-pyrrolidin-1-ium-2-yl]methanone

Systemtic Name: (4-pyrimidin-2-ylpiperazin-1-yl)-[(2S)-pyrrolidin-1-ium-2-yl]methanone Openeye Name: (4-pyrimidin-2-ylpiperazin-1-yl)-[(2S)-pyrrolidin-1-ium-2-yl]methanone CAS Name: [4-(2-pyrimidinyl)-1-piperazinyl]-[(2S)-2-pyrrolidin-1-iumyl]methanone IUPAC Name: (4-pyrimidin-2-ylpiperazin-1-yl)-[(2S)-pyrrolidin-1-ium-2-yl]methanone Traditional Name: [4-(2-pyrimidyl)piperazino]-[(2S)-pyrrolidin-1-ium-2-yl]methanone Formula: C13H20N5O+ MolecularWeight: 262.3308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C1C[C@H]([NH2+]C1)C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C13H19N5O/c19-12(11-3-1-4-14-11)17-7-9-18(10-8-17)13-15-5-2-6-16-13/h2,5-6,11,14H,1,3-4,7-10H2/p+1/t11-/m0/s1