(2S)-3-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]butanoate

Systemtic Name: (2S)-3-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]butanoate Openeye Name: (2S)-3-methyl-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)butanoate CAS Name: (2S)-3-methyl-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]butanoate IUPAC Name: (2S)-3-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]butanoate Traditional Name: (2S)-3-methyl-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)butyrate Formula: C12H19N3O2S MolecularWeight: 269.36316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])[NH+]1CCN(CC1)C2=NC=CS2

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])[NH+]1CCN(CC1)C2=NC=CS2

InChI

InChI=1S/C12H19N3O2S/c1-9(2)10(11(16)17)14-4-6-15(7-5-14)12-13-3-8-18-12/h3,8-10H,4-7H2,1-2H3,(H,16,17)/t10-/m0/s1