N-[(2S)-butan-2-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S)-1-methylpropyl]-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1S)-1-methylpropyl]-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C13H23N4OS+ MolecularWeight: 283.41292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N4OS/c1-3-11(2)15-12(18)10-16-5-7-17(8-6-16)13-14-4-9-19-13/h4,9,11H,3,5-8,10H2,1-2H3,(H,15,18)/p+1/t11-/m0/s1