(2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-N-pyrimidin-2-yl-propanamide

Systemtic Name: (2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-N-pyrimidin-2-yl-propanamide Openeye Name: (2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-N-pyrimidin-2-yl-propanamide CAS Name: (2S)-2-methyl-3-(1-piperazin-4-iumylsulfonyl)-N-(2-pyrimidinyl)propanamide IUPAC Name: (2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-N-pyrimidin-2-ylpropanamide Traditional Name: (2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-N-(2-pyrimidyl)propionamide Formula: C12H20N5O3S+ MolecularWeight: 314.3839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)N1CC[NH2+]CC1)C(=O)NC2=NC=CC=N2

Isomeric SMILES

C[C@H](CS(=O)(=O)N1CC[NH2+]CC1)C(=O)NC2=NC=CC=N2

InChI

InChI=1S/C12H19N5O3S/c1-10(11(18)16-12-14-3-2-4-15-12)9-21(19,20)17-7-5-13-6-8-17/h2-4,10,13H,5-9H2,1H3,(H,14,15,16,18)/p+1/t10-/m1/s1